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

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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).