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

C26H18ClFN4O2 — CID 146307450

IUPAC2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4cccnc4)c(CO)nc23)ccc1Cl
InChIInChI=1S/C26H18ClFN4O2/c27-22-10-5-16(13-21(22)26(34)30-19-8-6-18(28)7-9-19)20-4-2-12-32-24(17-3-1-11-29-14-17)23(15-33)31-25(20)32/h1-14,33H,15H2,(H,30,34)
InChIKeyISQHYNGAYZIDLC-UHFFFAOYSA-N
MW472.91 g/mol
LogP5.60
Rot. Bonds5

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

2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 146307450) has the molecular formula C26H18ClFN4O2 and a molecular weight of 472.91 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID146307450
Molecular FormulaC26H18ClFN4O2
Molecular Weight472.91 g/mol
Exact Mass472.11
IUPAC Name2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4cccnc4)c(CO)nc23)ccc1Cl
InChIInChI=1S/C26H18ClFN4O2/c27-22-10-5-16(13-21(22)26(34)30-19-8-6-18(28)7-9-19)20-4-2-12-32-24(17-3-1-11-29-14-17)23(15-33)31-25(20)32/h1-14,33H,15H2,(H,30,34)
InChIKeyISQHYNGAYZIDLC-UHFFFAOYSA-N
XLogP5.60
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.91
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide (CID 146307450) is 2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide is O=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4cccnc4)c(CO)nc23)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is ISQHYNGAYZIDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN4O2/c27-22-10-5-16(13-21(22)26(34)30-19-8-6-18(28)7-9-19)20-4-2-12-32-24(17-3-1-11-29-14-17)23(15-33)31-25(20)32/h1-14,33H,15H2,(H,30,34).
What are the key properties of 2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide?
2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 472.91 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 146307450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).