N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide

C27H24ClN5O3 — CID 90888077

IUPACN-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide
SMILESO=C(N[C@@H]1CCCN2CN(c3ccc(-n4ccccc4=O)cc3)C(=O)[C@H]12)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C27H24ClN5O3/c28-21-15-29-23-14-17(6-11-20(21)23)26(35)30-22-4-3-12-31-16-33(27(36)25(22)31)19-9-7-18(8-10-19)32-13-2-1-5-24(32)34/h1-2,5-11,13-15,22,25,29H,3-4,12,16H2,(H,30,35)/t22-,25+/m1/s1
InChIKeyDWUWSMMHVSTHGY-RDGATRHJSA-N
MW501.97 g/mol
LogP3.54
Rot. Bonds4

About N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide

N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide (PubChem CID 90888077) has the molecular formula C27H24ClN5O3 and a molecular weight of 501.97 g/mol. Its IUPAC name is N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide
PubChem CID90888077
Molecular FormulaC27H24ClN5O3
Molecular Weight501.97 g/mol
Exact Mass501.16
IUPAC NameN-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide
SMILESO=C(N[C@@H]1CCCN2CN(c3ccc(-n4ccccc4=O)cc3)C(=O)[C@H]12)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C27H24ClN5O3/c28-21-15-29-23-14-17(6-11-20(21)23)26(35)30-22-4-3-12-31-16-33(27(36)25(22)31)19-9-7-18(8-10-19)32-13-2-1-5-24(32)34/h1-2,5-11,13-15,22,25,29H,3-4,12,16H2,(H,30,35)/t22-,25+/m1/s1
InChIKeyDWUWSMMHVSTHGY-RDGATRHJSA-N
XLogP3.54
TPSA90.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.97
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide
CID 91569967
3-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide
CID 11641494
3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 11202747
3-chloro-N-[[(4S)-1-methylsulfonyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]methylidene]-1H-indole-6-carboxamide
CID 142943446
3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide
CID 11598427
3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 58896263
4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
CID 71189210
N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 75027304
3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1,3-oxazinan-3-yl)phenyl]carbamoyl]cyclohexyl]-1H-indole-6-carboxamide
CID 162120711
N-[(8R,8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide
CID 91514049
4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
CID 142943661
3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide
CID 69440910

Frequently Asked Questions

What is the IUPAC name of N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide?
The IUPAC name of N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide (CID 90888077) is N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide?
The canonical SMILES for N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide is O=C(N[C@@H]1CCCN2CN(c3ccc(-n4ccccc4=O)cc3)C(=O)[C@H]12)c1ccc2c(Cl)c[nH]c2c1.
What is the InChIKey of N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide?
The InChIKey is DWUWSMMHVSTHGY-RDGATRHJSA-N. The full InChI is InChI=1S/C27H24ClN5O3/c28-21-15-29-23-14-17(6-11-20(21)23)26(35)30-22-4-3-12-31-16-33(27(36)25(22)31)19-9-7-18(8-10-19)32-13-2-1-5-24(32)34/h1-2,5-11,13-15,22,25,29H,3-4,12,16H2,(H,30,35)/t22-,25+/m1/s1.
What are the key properties of N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide?
N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide has a molecular weight of 501.97 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide is sourced from PubChem (CID 90888077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).