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

C32H26FN5O2 — CID 10744808

IUPAC4-(4-fluorophenyl)-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(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C32H26FN5O2/c1-20-35-27-17-34-16-15-28(27)37(20)18-21-7-9-23(10-8-21)31(39)26-19-38(32(40)36(2)3)29-6-4-5-25(30(26)29)22-11-13-24(33)14-12-22/h4-17,19H,18H2,1-3H3
InChIKeyJXZMUWVNNIXXDK-UHFFFAOYSA-N
MW531.59 g/mol
LogP6.31
Rot. Bonds5

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

4-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide (PubChem CID 10744808) has the molecular formula C32H26FN5O2 and a molecular weight of 531.59 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
PubChem CID10744808
Molecular FormulaC32H26FN5O2
Molecular Weight531.59 g/mol
Exact Mass531.21
IUPAC Name4-(4-fluorophenyl)-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(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C32H26FN5O2/c1-20-35-27-17-34-16-15-28(27)37(20)18-21-7-9-23(10-8-21)31(39)26-19-38(32(40)36(2)3)29-6-4-5-25(30(26)29)22-11-13-24(33)14-12-22/h4-17,19H,18H2,1-3H3
InChIKeyJXZMUWVNNIXXDK-UHFFFAOYSA-N
XLogP6.31
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.59
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide (CID 10744808) is 4-(4-fluorophenyl)-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-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-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(-c4ccc(F)cc4)c23)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The InChIKey is JXZMUWVNNIXXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN5O2/c1-20-35-27-17-34-16-15-28(27)37(20)18-21-7-9-23(10-8-21)31(39)26-19-38(32(40)36(2)3)29-6-4-5-25(30(26)29)22-11-13-24(33)14-12-22/h4-17,19H,18H2,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
4-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide has a molecular weight of 531.59 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide is sourced from PubChem (CID 10744808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).