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(S)-2-(8-(hydroxymethyl)-1-isopropyl-7-(methylsulfonyl)-3,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrazin-2(1H)-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

HCID 71736632
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)[C@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(N)=O)c(C(F)(F)F)n1
InChIKey
XZVKGPBWXMHCFG-INIZCTEOSA-N
Molecular formula
C21H23F3N6O4S
Average molar mass
512.5 g/mol

Names & identifiers

Preferred name
(S)-2-(8-(hydroxymethyl)-1-isopropyl-7-(methylsulfonyl)-3,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrazin-2(1H)-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
IUPAC
2-[(1S)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide

Names & synonyms

(S)-2-(8-(hydroxymethyl)-1-isopropyl-7-(methylsulfonyl)-3,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrazin-2(1H)-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamideCHEMBL3673690SCHEMBL15272676BDBM168099US9073931, E15bUS9073931, E29b

Database identifiers

PubChem CID
71736632
ChEMBL
CHEMBL3673690

Properties

Computed structural propertiesFilling in

XLogP
0.9
Topological polar surface area
153 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
5
Heavy atoms
35
Formal charge
0
Complexity
900

Related reactions

2 records
New reaction record
HRID 1482995 reaction equation
HRID 1482995As productuspto-grants-2016_08
HRID 1521528 reaction equation
HRID 1521528As productuspto-grants-2015_07

Compound notes

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