5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide

C28H21F3N4O2 — CID 148928680

IUPAC5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccn3c(-c4cccc(F)c4F)c(CO)nc23)cc1C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C28H21F3N4O2/c1-16-22(28(37)34(2)19-10-8-18(29)9-11-19)13-17(14-32-16)20-6-4-12-35-26(24(15-36)33-27(20)35)21-5-3-7-23(30)25(21)31/h3-14,36H,15H2,1-2H3
InChIKeyPLMRKFFAKCWDMB-UHFFFAOYSA-N
MW502.50 g/mol
LogP5.56
Rot. Bonds5

About 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide

5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide (PubChem CID 148928680) has the molecular formula C28H21F3N4O2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide
PubChem CID148928680
Molecular FormulaC28H21F3N4O2
Molecular Weight502.50 g/mol
Exact Mass502.16
IUPAC Name5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccn3c(-c4cccc(F)c4F)c(CO)nc23)cc1C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C28H21F3N4O2/c1-16-22(28(37)34(2)19-10-8-18(29)9-11-19)13-17(14-32-16)20-6-4-12-35-26(24(15-36)33-27(20)35)21-5-3-7-23(30)25(21)31/h3-14,36H,15H2,1-2H3
InChIKeyPLMRKFFAKCWDMB-UHFFFAOYSA-N
XLogP5.56
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 10336316
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
2-fluoro-N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 155527082
3-Hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 10766154
1-[4-[(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-hydroxy-4,4,4-trifluoro-3-phenylbutan-1-one
CID 10789529
N-(2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 23120580
N-(2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 23120582
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone
CID 42607276
N-(2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 45268527
N-(2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 45273623
3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 46942855
3-[2-[8-[(3-Fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]benzoic acid
CID 89523011

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide (CID 148928680) is 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide is Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)c(CO)nc23)cc1C(=O)N(C)c1ccc(F)cc1.
What is the InChIKey of 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is PLMRKFFAKCWDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4O2/c1-16-22(28(37)34(2)19-10-8-18(29)9-11-19)13-17(14-32-16)20-6-4-12-35-26(24(15-36)33-27(20)35)21-5-3-7-23(30)25(21)31/h3-14,36H,15H2,1-2H3.
What are the key properties of 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide?
5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 502.50 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 148928680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).