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

C26H23N5O3 — CID 10647327

IUPAC4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(O)c23)cc1
InChIInChI=1S/C26H23N5O3/c1-16-28-20-13-27-12-11-21(20)30(16)14-17-7-9-18(10-8-17)25(33)19-15-31(26(34)29(2)3)22-5-4-6-23(32)24(19)22/h4-13,15,32H,14H2,1-3H3
InChIKeySYZXLXOQSSXUNZ-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.21
Rot. Bonds4

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

4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide (PubChem CID 10647327) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
PubChem CID10647327
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(O)c23)cc1
InChIInChI=1S/C26H23N5O3/c1-16-28-20-13-27-12-11-21(20)30(16)14-17-7-9-18(10-8-17)25(33)19-15-31(26(34)29(2)3)22-5-4-6-23(32)24(19)22/h4-13,15,32H,14H2,1-3H3
InChIKeySYZXLXOQSSXUNZ-UHFFFAOYSA-N
XLogP4.21
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The IUPAC name of 4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide (CID 10647327) is 4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The canonical SMILES for 4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide is Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(O)c23)cc1.
What is the InChIKey of 4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The InChIKey is SYZXLXOQSSXUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-16-28-20-13-27-12-11-21(20)30(16)14-17-7-9-18(10-8-17)25(33)19-15-31(26(34)29(2)3)22-5-4-6-23(32)24(19)22/h4-13,15,32H,14H2,1-3H3.
What are the key properties of 4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide is sourced from PubChem (CID 10647327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).