N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C27H22F3N5O2 — CID 118408575

IUPACN-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCC(O)c1ccc2nc(-c3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)n2c1
InChIInChI=1S/C27H22F3N5O2/c1-16(36)19-9-11-23-31-24(17-6-4-3-5-7-17)25(35(23)15-19)32-26(37)18-8-10-21(27(28,29)30)20(14-18)22-12-13-34(2)33-22/h3-16,36H,1-2H3,(H,32,37)
InChIKeyCYLBGQZVHZUHIP-UHFFFAOYSA-N
MW505.50 g/mol
LogP5.73
Rot. Bonds5

About N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118408575) has the molecular formula C27H22F3N5O2 and a molecular weight of 505.50 g/mol. Its IUPAC name is N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118408575
Molecular FormulaC27H22F3N5O2
Molecular Weight505.50 g/mol
Exact Mass505.17
IUPAC NameN-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCC(O)c1ccc2nc(-c3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)n2c1
InChIInChI=1S/C27H22F3N5O2/c1-16(36)19-9-11-23-31-24(17-6-4-3-5-7-17)25(35(23)15-19)32-26(37)18-8-10-21(27(28,29)30)20(14-18)22-12-13-34(2)33-22/h3-16,36H,1-2H3,(H,32,37)
InChIKeyCYLBGQZVHZUHIP-UHFFFAOYSA-N
XLogP5.73
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.50
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118408575) is N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is CC(O)c1ccc2nc(-c3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)n2c1.
What is the InChIKey of N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is CYLBGQZVHZUHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5O2/c1-16(36)19-9-11-23-31-24(17-6-4-3-5-7-17)25(35(23)15-19)32-26(37)18-8-10-21(27(28,29)30)20(14-18)22-12-13-34(2)33-22/h3-16,36H,1-2H3,(H,32,37).
What are the key properties of N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 505.50 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118408575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).