6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide

C31H26ClFN4O2 — CID 59233686

IUPAC6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3Cl)cn12
InChIInChI=1S/C31H26ClFN4O2/c1-31(2,22-7-5-4-6-8-22)36-29(38)20-11-15-25(32)24(17-20)21-12-16-26-35-27(19-9-13-23(33)14-10-19)28(30(39)34-3)37(26)18-21/h4-18H,1-3H3,(H,34,39)(H,36,38)
InChIKeyQPURYBHQGIGXSL-UHFFFAOYSA-N
MW541.03 g/mol
LogP6.49
Rot. Bonds6

About 6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide

6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 59233686) has the molecular formula C31H26ClFN4O2 and a molecular weight of 541.03 g/mol. Its IUPAC name is 6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID59233686
Molecular FormulaC31H26ClFN4O2
Molecular Weight541.03 g/mol
Exact Mass540.17
IUPAC Name6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3Cl)cn12
InChIInChI=1S/C31H26ClFN4O2/c1-31(2,22-7-5-4-6-8-22)36-29(38)20-11-15-25(32)24(17-20)21-12-16-26-35-27(19-9-13-23(33)14-10-19)28(30(39)34-3)37(26)18-21/h4-18H,1-3H3,(H,34,39)(H,36,38)
InChIKeyQPURYBHQGIGXSL-UHFFFAOYSA-N
XLogP6.49
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.03
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572144
2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 59233804
2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67217154
6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056530
2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572950
6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572256
2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
CID 110440797
2-(4-fluorophenyl)-N-methyl-4-nitro-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275466
2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82060679
1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
CID 82541260
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 91559223

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 59233686) is 6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3Cl)cn12.
What is the InChIKey of 6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QPURYBHQGIGXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClFN4O2/c1-31(2,22-7-5-4-6-8-22)36-29(38)20-11-15-25(32)24(17-20)21-12-16-26-35-27(19-9-13-23(33)14-10-19)28(30(39)34-3)37(26)18-21/h4-18H,1-3H3,(H,34,39)(H,36,38).
What are the key properties of 6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 541.03 g/mol, XLogP of 6.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).