N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

C27H18F4N4O2 — CID 146307453

IUPACN-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4cccnc4)c(CO)nc23)ccc1C(F)(F)F
InChIInChI=1S/C27H18F4N4O2/c28-18-6-8-19(9-7-18)33-26(37)21-13-16(5-10-22(21)27(29,30)31)20-4-2-12-35-24(17-3-1-11-32-14-17)23(15-36)34-25(20)35/h1-14,36H,15H2,(H,33,37)
InChIKeyITSBTSVTJDNSNV-UHFFFAOYSA-N
MW506.46 g/mol
LogP5.97
Rot. Bonds5

About N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (PubChem CID 146307453) has the molecular formula C27H18F4N4O2 and a molecular weight of 506.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
PubChem CID146307453
Molecular FormulaC27H18F4N4O2
Molecular Weight506.46 g/mol
Exact Mass506.14
IUPAC NameN-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4cccnc4)c(CO)nc23)ccc1C(F)(F)F
InChIInChI=1S/C27H18F4N4O2/c28-18-6-8-19(9-7-18)33-26(37)21-13-16(5-10-22(21)27(29,30)31)20-4-2-12-35-24(17-3-1-11-32-14-17)23(15-36)34-25(20)35/h1-14,36H,15H2,(H,33,37)
InChIKeyITSBTSVTJDNSNV-UHFFFAOYSA-N
XLogP5.97
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.46
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (CID 146307453) is N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is O=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4cccnc4)c(CO)nc23)ccc1C(F)(F)F.
What is the InChIKey of N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is ITSBTSVTJDNSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F4N4O2/c28-18-6-8-19(9-7-18)33-26(37)21-13-16(5-10-22(21)27(29,30)31)20-4-2-12-35-24(17-3-1-11-32-14-17)23(15-36)34-25(20)35/h1-14,36H,15H2,(H,33,37).
What are the key properties of N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 506.46 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 146307453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).