2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C33H31FN4O2 — CID 59233804

IUPAC2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2cc(C)c(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3C)cn12
InChIInChI=1S/C33H31FN4O2/c1-20-11-12-23(31(39)37-33(3,4)24-9-7-6-8-10-24)18-26(20)27-19-38-28(17-21(27)2)36-29(30(38)32(40)35-5)22-13-15-25(34)16-14-22/h6-19H,1-5H3,(H,35,40)(H,37,39)
InChIKeyIYZSTJAEVQAXGT-UHFFFAOYSA-N
MW534.64 g/mol
LogP6.45
Rot. Bonds6

About 2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 59233804) has the molecular formula C33H31FN4O2 and a molecular weight of 534.64 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID59233804
Molecular FormulaC33H31FN4O2
Molecular Weight534.64 g/mol
Exact Mass534.24
IUPAC Name2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2cc(C)c(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3C)cn12
InChIInChI=1S/C33H31FN4O2/c1-20-11-12-23(31(39)37-33(3,4)24-9-7-6-8-10-24)18-26(20)27-19-38-28(17-21(27)2)36-29(30(38)32(40)35-5)22-13-15-25(34)16-14-22/h6-19H,1-5H3,(H,35,40)(H,37,39)
InChIKeyIYZSTJAEVQAXGT-UHFFFAOYSA-N
XLogP6.45
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.64
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 59233686
2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572144
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-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572950
2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67217154
6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572034
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
CID 53378804
2-(4-fluorophenyl)-N-methyl-4-nitro-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275466
6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056530
methyl 6-bromo-2-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate
CID 69191503
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90869134

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 59233804) is 2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nc2cc(C)c(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3C)cn12.
What is the InChIKey of 2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IYZSTJAEVQAXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN4O2/c1-20-11-12-23(31(39)37-33(3,4)24-9-7-6-8-10-24)18-26(20)27-19-38-28(17-21(27)2)36-29(30(38)32(40)35-5)22-13-15-25(34)16-14-22/h6-19H,1-5H3,(H,35,40)(H,37,39).
What are the key properties of 2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 534.64 g/mol, XLogP of 6.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).