6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide

C32H26FN5O2 — CID 67761828

IUPAC6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2c(C(=O)N(C)C)[nH]c3cc(-c4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C32H26FN5O2/c1-19-35-27-17-34-15-14-28(27)38(19)18-20-4-6-22(7-5-20)31(39)29-25-13-10-23(21-8-11-24(33)12-9-21)16-26(25)36-30(29)32(40)37(2)3/h4-17,36H,18H2,1-3H3
InChIKeyBVDVVATXPVYFDK-UHFFFAOYSA-N
MW531.59 g/mol
LogP6.01
Rot. Bonds6

About 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide

6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide (PubChem CID 67761828) has the molecular formula C32H26FN5O2 and a molecular weight of 531.59 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide
PubChem CID67761828
Molecular FormulaC32H26FN5O2
Molecular Weight531.59 g/mol
Exact Mass531.21
IUPAC Name6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2c(C(=O)N(C)C)[nH]c3cc(-c4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C32H26FN5O2/c1-19-35-27-17-34-15-14-28(27)38(19)18-20-4-6-22(7-5-20)31(39)29-25-13-10-23(21-8-11-24(33)12-9-21)16-26(25)36-30(29)32(40)37(2)3/h4-17,36H,18H2,1-3H3
InChIKeyBVDVVATXPVYFDK-UHFFFAOYSA-N
XLogP6.01
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.59
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide
CID 70112343
6-(4-fluorophenyl)-N,N-dimethyl-3-[6-(2-methylimidazo[4,5-c]pyridin-3-yl)hexanoyl]-1H-indole-2-carboxamide
CID 70110388
phenyl 6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxylate
CID 70110581
methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate
CID 70110887
4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 18993137
(2S)-2-[methyl-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 67745353
[6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride
CID 23374538
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate
CID 18993191
1-[(3-chloro-4-methylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 143827990
3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N,N-dimethyl-4-(2-trimethylsilylethynyl)indole-1-carboxamide
CID 70109523
N-[(2S)-1-methoxy-3-methylpentan-2-yl]-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
CID 67626291

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide (CID 67761828) is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide is Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c(C(=O)N(C)C)[nH]c3cc(-c4ccc(F)cc4)ccc23)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide?
The InChIKey is BVDVVATXPVYFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN5O2/c1-19-35-27-17-34-15-14-28(27)38(19)18-20-4-6-22(7-5-20)31(39)29-25-13-10-23(21-8-11-24(33)12-9-21)16-26(25)36-30(29)32(40)37(2)3/h4-17,36H,18H2,1-3H3.
What are the key properties of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide?
6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide has a molecular weight of 531.59 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 67761828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).