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

C26H17F3N4O — CID 146341462

IUPAC5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccn3c(-c4cccc(F)c4F)cnc23)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H17F3N4O/c1-15-21(26(34)32-18-9-7-17(27)8-10-18)12-16(13-30-15)19-5-3-11-33-23(14-31-25(19)33)20-4-2-6-22(28)24(20)29/h2-14H,1H3,(H,32,34)
InChIKeyZHZWEGQWUBCHNH-UHFFFAOYSA-N
MW458.44 g/mol
LogP6.04
Rot. Bonds4

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

5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide (PubChem CID 146341462) has the molecular formula C26H17F3N4O and a molecular weight of 458.44 g/mol. Its IUPAC name is 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
PubChem CID146341462
Molecular FormulaC26H17F3N4O
Molecular Weight458.44 g/mol
Exact Mass458.14
IUPAC Name5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccn3c(-c4cccc(F)c4F)cnc23)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H17F3N4O/c1-15-21(26(34)32-18-9-7-17(27)8-10-18)12-16(13-30-15)19-5-3-11-33-23(14-31-25(19)33)20-4-2-6-22(28)24(20)29/h2-14H,1H3,(H,32,34)
InChIKeyZHZWEGQWUBCHNH-UHFFFAOYSA-N
XLogP6.04
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.44
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide (CID 146341462) is 5-[3-(2,3-difluorophenyl)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)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide is Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)cnc23)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is ZHZWEGQWUBCHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4O/c1-15-21(26(34)32-18-9-7-17(27)8-10-18)12-16(13-30-15)19-5-3-11-33-23(14-31-25(19)33)20-4-2-6-22(28)24(20)29/h2-14H,1H3,(H,32,34).
What are the key properties of 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide?
5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 146341462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).