4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide

C26H22ClN5O2 — CID 10552376

IUPAC4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCc1nc2ncccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Cl)c23)cc1
InChIInChI=1S/C26H22ClN5O2/c1-16-29-25-22(8-5-13-28-25)31(16)14-17-9-11-18(12-10-17)24(33)19-15-32(26(34)30(2)3)21-7-4-6-20(27)23(19)21/h4-13,15H,14H2,1-3H3
InChIKeyKZXPEYWFHZVBCJ-UHFFFAOYSA-N
MW471.95 g/mol
LogP5.16
Rot. Bonds4

About 4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide

4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide (PubChem CID 10552376) has the molecular formula C26H22ClN5O2 and a molecular weight of 471.95 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
PubChem CID10552376
Molecular FormulaC26H22ClN5O2
Molecular Weight471.95 g/mol
Exact Mass471.15
IUPAC Name4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCc1nc2ncccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Cl)c23)cc1
InChIInChI=1S/C26H22ClN5O2/c1-16-29-25-22(8-5-13-28-25)31(16)14-17-9-11-18(12-10-17)24(33)19-15-32(26(34)30(2)3)21-7-4-6-20(27)23(19)21/h4-13,15H,14H2,1-3H3
InChIKeyKZXPEYWFHZVBCJ-UHFFFAOYSA-N
XLogP5.16
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.95
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-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

Ondansetron Hydrochloride
CID 68647
Zofran
CID 59774
ABT-491 free base
CID 154087
N-{5-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-3-Yl}-2-(4-Chlorophenyl)acetamide
CID 124219454
4-Methyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10694900
N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 90683761
1H-Indole-1-carboxamide, 4-ethynyl-3-(3-fluoro-4-((2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)methyl)benzoyl)-N-methyl-
CID 154121
4-ethyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 10624048
1-[3-Chloro-4-(2-ethyl-3-pentan-2-ylimidazo[4,5-b]pyridin-7-yl)phenyl]ethanone
CID 44458832
(4-chlorophenyl)[1-methyl-5-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]methanone
CID 665250
4-Ethynyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 9847128
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone
CID 10178250

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide (CID 10552376) is 4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide is Cc1nc2ncccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Cl)c23)cc1.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The InChIKey is KZXPEYWFHZVBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O2/c1-16-29-25-22(8-5-13-28-25)31(16)14-17-9-11-18(12-10-17)24(33)19-15-32(26(34)30(2)3)21-7-4-6-20(27)23(19)21/h4-13,15H,14H2,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide has a molecular weight of 471.95 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-b]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide is sourced from PubChem (CID 10552376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).