6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide

C26H17F3N4O — CID 146341464

IUPAC6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide
SMILESCc1ccc(-c2cccc3c(-c4cccc(F)c4F)ncn23)nc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H17F3N4O/c1-15-8-13-20(32-24(15)26(34)31-17-11-9-16(27)10-12-17)21-6-3-7-22-25(30-14-33(21)22)18-4-2-5-19(28)23(18)29/h2-14H,1H3,(H,31,34)
InChIKeyLUFKGWGRTBFMMI-UHFFFAOYSA-N
MW458.44 g/mol
LogP6.04
Rot. Bonds4

About 6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide

6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide (PubChem CID 146341464) has the molecular formula C26H17F3N4O and a molecular weight of 458.44 g/mol. Its IUPAC name is 6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide
PubChem CID146341464
Molecular FormulaC26H17F3N4O
Molecular Weight458.44 g/mol
Exact Mass458.14
IUPAC Name6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide
SMILESCc1ccc(-c2cccc3c(-c4cccc(F)c4F)ncn23)nc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H17F3N4O/c1-15-8-13-20(32-24(15)26(34)31-17-11-9-16(27)10-12-17)21-6-3-7-22-25(30-14-33(21)22)18-4-2-5-19(28)23(18)29/h2-14H,1H3,(H,31,34)
InChIKeyLUFKGWGRTBFMMI-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 6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of 6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide (CID 146341464) is 6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide is Cc1ccc(-c2cccc3c(-c4cccc(F)c4F)ncn23)nc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide?
The InChIKey is LUFKGWGRTBFMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4O/c1-15-8-13-20(32-24(15)26(34)31-17-11-9-16(27)10-12-17)21-6-3-7-22-25(30-14-33(21)22)18-4-2-5-19(28)23(18)29/h2-14H,1H3,(H,31,34).
What are the key properties of 6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide?
6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-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 6-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 146341464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).