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

C29H33ClN6O3 — CID 91514049

IUPACN-[(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
SMILESCN(C(=O)CN1CCCC1)c1ccc(N2C[C@@H]3[C@H](NC(=O)c4ccc5c(Cl)c[nH]c5c4)CCCN3C2=O)cc1
InChIInChI=1S/C29H33ClN6O3/c1-33(27(37)18-34-12-2-3-13-34)20-7-9-21(10-8-20)36-17-26-24(5-4-14-35(26)29(36)39)32-28(38)19-6-11-22-23(30)16-31-25(22)15-19/h6-11,15-16,24,26,31H,2-5,12-14,17-18H2,1H3,(H,32,38)/t24-,26-/m1/s1
InChIKeyCVGLJPKZUUGNDX-AOYPEHQESA-N
MW549.08 g/mol
LogP4.08
Rot. Bonds6

About 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

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 (PubChem CID 91514049) has the molecular formula C29H33ClN6O3 and a molecular weight of 549.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID91514049
Molecular FormulaC29H33ClN6O3
Molecular Weight549.08 g/mol
Exact Mass548.23
IUPAC NameN-[(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
SMILESCN(C(=O)CN1CCCC1)c1ccc(N2C[C@@H]3[C@H](NC(=O)c4ccc5c(Cl)c[nH]c5c4)CCCN3C2=O)cc1
InChIInChI=1S/C29H33ClN6O3/c1-33(27(37)18-34-12-2-3-13-34)20-7-9-21(10-8-20)36-17-26-24(5-4-14-35(26)29(36)39)32-28(38)19-6-11-22-23(30)16-31-25(22)15-19/h6-11,15-16,24,26,31H,2-5,12-14,17-18H2,1H3,(H,32,38)/t24-,26-/m1/s1
InChIKeyCVGLJPKZUUGNDX-AOYPEHQESA-N
XLogP4.08
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.08
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 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

3-chloro-N-[(1S,2R)-2-[[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 58714368
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-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide
CID 11598427
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
3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 58896263
3-chloro-N-[4-(dimethylcarbamoyl)-2-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 90711974
3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1,3-oxazinan-3-yl)phenyl]carbamoyl]cyclohexyl]-1H-indole-6-carboxamide
CID 162120711
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-piperidin-4-yl-1H-indole-6-carboxamide
CID 18453185
3-(aminomethyl)-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 18447641
3-chloro-N-[(4R)-2-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-3-hydroxy-1,1-dioxo-4,5,6,7-tetrahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl]-1H-indole-6-carboxamide
CID 91110837

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C(=O)CN1CCCC1)c1ccc(N2C[C@@H]3[C@H](NC(=O)c4ccc5c(Cl)c[nH]c5c4)CCCN3C2=O)cc1.
What is the InChIKey of 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?
The InChIKey is CVGLJPKZUUGNDX-AOYPEHQESA-N. The full InChI is InChI=1S/C29H33ClN6O3/c1-33(27(37)18-34-12-2-3-13-34)20-7-9-21(10-8-20)36-17-26-24(5-4-14-35(26)29(36)39)32-28(38)19-6-11-22-23(30)16-31-25(22)15-19/h6-11,15-16,24,26,31H,2-5,12-14,17-18H2,1H3,(H,32,38)/t24-,26-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 549.08 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91514049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).