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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Related Compounds

N-(2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 23120582
4-chloro-N-[3-[3-[(2,4-difluorophenyl)carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzamide
CID 127042258
US9862707, Example 17
CID 118408663
US10081629, Example 4
CID 118466607
2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122604063
2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide
CID 122604102
2-chloro-N-[3-(1-hydroxy-1-methylethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide
CID 122604112
2-chloro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609211
2-fluoro-N-[7-[3-(hydroxymethyl)phenyl]-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609266
2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-c]pyrimidin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609305
US10759794, Example 16
CID 129225856
WO2022086828, Example 81
CID 166596043

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).