lithium 3-(4-(tert-butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)-3-(4-chlorophenyl)propanoate

HCID 57750331
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NC(CC(=O)[O-])c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1.[Li+]
InChIKey
ZFBDDVBCCPIDDY-UHFFFAOYSA-M
Molecular formula
C26H30ClLiN6O5
Average molar mass
549 g/mol

Names & identifiers

Preferred name
lithium 3-(4-(tert-butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)-3-(4-chlorophenyl)propanoate
IUPAC
lithium 3-(4-chlorophenyl)-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]propanoate

Names & synonyms

SCHEMBL393375ZFBDDVBCCPIDDY-UHFFFAOYSA-Mlithium 3-(4-(tert-butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)-3-(4-chlorophenyl)propanoate

Database identifiers

PubChem CID
57750331

Properties

Computed structural properties

Topological polar surface area
152 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

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