(S)-benzyl 2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate

HCID 71233862
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Basic information

CAS
1420478-89-2
Standard SMILES
Nc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12
InChIKey
PBYIGYPMLIQOEW-QHCPKHFHSA-N
Molecular formula
C30H27N7O3
Average molar mass
533.6 g/mol
Monoisotopic mass
533.21753775

Names & identifiers

Preferred name
(S)-benzyl 2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
IUPAC
benzyl (2S)-2-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate
English name
(S)-benzyl 2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
Molecular formula
C30H27N7O3
Molecular weight
533.58

Names & synonyms

1420478-89-2(S)-benzyl 2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 2-[8-amino-1-[4-[(2-pyridinylamino)carbonyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-, phenylmethyl ester, (2S)-benzyl (2S)-2-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate39NJ2GEP9CSCHEMBL14651407PBYIGYPMLIQOEW-QHCPKHFHSA-NDTXSID501101723MFCD32186850SY464286(S)-4-[8-Amino-3-(1-Cbz-pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(pyridin-2-yl)benzamideBenzyl 2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate, (S)-
Show more names
ACALABRUTINIB N-2Acalabrutinib Impurity 30BENZYL (S)-2-(8-AMINO-1-(4-(PYRIDIN-2-YLCARBAMOYL)PHENYL)IMIDAZO[1,5-A]PYRAZIN-3-YL)PYRROLIDINE-1-CAbenzyl (S)-2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate(S)-2-{8-Amino-1-[4-(pyridin-2-ylcarbamoyl)-phenyl]-imidazo[1,5-a] pyrazin-3-yl}-pyrrolidine-1-carboxylic acid benzyl ester
Phenylmethyl (2S)-2-[8-amino-1-[4-[(2-pyridinylamino)carbonyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-pyrrolidinecarboxylate

Database identifiers

CAS
1420478-89-2
PubChem CID
71233862
DTXSID
DTXSID501101723
UNII
39NJ2GEP9C

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
128 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
40

Physicochemical properties

Density
1.39 · 1.39±0.1 g/cm3(Predicted)
pka
11.47 · 11.47±0.70(Predicted)

Chemistry & industry

Suppliers30 total

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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