5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide

C27H19F3N4O2 — CID 146341411

IUPAC5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccn3c(-c4cccc(F)c4F)c(CO)nc23)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C27H19F3N4O2/c1-15-21(27(36)32-18-9-7-17(28)8-10-18)12-16(13-31-15)19-5-3-11-34-25(23(14-35)33-26(19)34)20-4-2-6-22(29)24(20)30/h2-13,35H,14H2,1H3,(H,32,36)
InChIKeyPJCRLJOVBVIBIY-UHFFFAOYSA-N
MW488.47 g/mol
LogP5.53
Rot. Bonds5

About 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide

5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide (PubChem CID 146341411) has the molecular formula C27H19F3N4O2 and a molecular weight of 488.47 g/mol. Its IUPAC name is 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
PubChem CID146341411
Molecular FormulaC27H19F3N4O2
Molecular Weight488.47 g/mol
Exact Mass488.15
IUPAC Name5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccn3c(-c4cccc(F)c4F)c(CO)nc23)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C27H19F3N4O2/c1-15-21(27(36)32-18-9-7-17(28)8-10-18)12-16(13-31-15)19-5-3-11-34-25(23(14-35)33-26(19)34)20-4-2-6-22(29)24(20)30/h2-13,35H,14H2,1H3,(H,32,36)
InChIKeyPJCRLJOVBVIBIY-UHFFFAOYSA-N
XLogP5.53
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.47
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide (CID 146341411) is 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide is Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)c(CO)nc23)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is PJCRLJOVBVIBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4O2/c1-15-21(27(36)32-18-9-7-17(28)8-10-18)12-16(13-31-15)19-5-3-11-34-25(23(14-35)33-26(19)34)20-4-2-6-22(29)24(20)30/h2-13,35H,14H2,1H3,(H,32,36).
What are the key properties of 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide?
5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 146341411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).