(7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C21H21N3O4S — CID 97325926

IUPAC(7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCS(=O)(=O)c1ccc(Oc2ccc(NC(=O)[C@H]3CCn4cncc4C3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-29(26,27)20-8-6-19(7-9-20)28-18-4-2-16(3-5-18)23-21(25)15-10-11-24-14-22-13-17(24)12-15/h2-9,13-15H,10-12H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyVVFDRAWTJLKTJN-HNNXBMFYSA-N
MW411.48 g/mol
LogP3.28
Rot. Bonds5

About (7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

(7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 97325926) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is (7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID97325926
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name(7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCS(=O)(=O)c1ccc(Oc2ccc(NC(=O)[C@H]3CCn4cncc4C3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-29(26,27)20-8-6-19(7-9-20)28-18-4-2-16(3-5-18)23-21(25)15-10-11-24-14-22-13-17(24)12-15/h2-9,13-15H,10-12H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyVVFDRAWTJLKTJN-HNNXBMFYSA-N
XLogP3.28
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide with MolForge

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Related Compounds

N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75419257
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 119769506
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119769505
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 127638623
N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119315410
N-(2-piperidin-1-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 154780072
N-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 84578851
N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935217
2,2,2-trifluoroethyl 4-[(4-methylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 46680590
(7S)-N-(5-ethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97329392
N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119331518
(2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 84578850

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of (7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 97325926) is (7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for (7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for (7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)[C@H]3CCn4cncc4C3)cc2)cc1.
What is the InChIKey of (7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is VVFDRAWTJLKTJN-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-29(26,27)20-8-6-19(7-9-20)28-18-4-2-16(3-5-18)23-21(25)15-10-11-24-14-22-13-17(24)12-15/h2-9,13-15H,10-12H2,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
(7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 97325926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).