2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide

C27H18F4N4O2 — CID 122604102

IUPAC2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(-c2ccccc2)ccn2c(CO)cnc12)c1cc(-c2ccccn2)c(C(F)(F)F)cc1F
InChIInChI=1S/C27H18F4N4O2/c28-22-13-21(27(29,30)31)19(23-8-4-5-10-32-23)12-20(22)26(37)34-24-18(16-6-2-1-3-7-16)9-11-35-17(15-36)14-33-25(24)35/h1-14,36H,15H2,(H,34,37)
InChIKeyPLGMHXODQHMLSN-UHFFFAOYSA-N
MW506.46 g/mol
LogP5.97
Rot. Bonds5

About 2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide

2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 122604102) has the molecular formula C27H18F4N4O2 and a molecular weight of 506.46 g/mol. Its IUPAC name is 2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide
PubChem CID122604102
Molecular FormulaC27H18F4N4O2
Molecular Weight506.46 g/mol
Exact Mass506.14
IUPAC Name2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(-c2ccccc2)ccn2c(CO)cnc12)c1cc(-c2ccccn2)c(C(F)(F)F)cc1F
InChIInChI=1S/C27H18F4N4O2/c28-22-13-21(27(29,30)31)19(23-8-4-5-10-32-23)12-20(22)26(37)34-24-18(16-6-2-1-3-7-16)9-11-35-17(15-36)14-33-25(24)35/h1-14,36H,15H2,(H,34,37)
InChIKeyPLGMHXODQHMLSN-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 2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide (CID 122604102) is 2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide is O=C(Nc1c(-c2ccccc2)ccn2c(CO)cnc12)c1cc(-c2ccccn2)c(C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is PLGMHXODQHMLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F4N4O2/c28-22-13-21(27(29,30)31)19(23-8-4-5-10-32-23)12-20(22)26(37)34-24-18(16-6-2-1-3-7-16)9-11-35-17(15-36)14-33-25(24)35/h1-14,36H,15H2,(H,34,37).
What are the key properties of 2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(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 2-fluoro-N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122604102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).