N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide

C22H16FN7O — CID 144691301

IUPACN-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cn[nH]c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)nc1
InChIInChI=1S/C22H16FN7O/c1-13-7-8-17(24-10-13)15-11-25-28-20(15)22(31)26-18-9-19-27-21(14-5-3-2-4-6-14)29-30(19)12-16(18)23/h2-12H,1H3,(H,25,28)(H,26,31)
InChIKeyQPTDBRQXUVSTEO-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.88
Rot. Bonds4

About N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide

N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide (PubChem CID 144691301) has the molecular formula C22H16FN7O and a molecular weight of 413.42 g/mol. Its IUPAC name is N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
PubChem CID144691301
Molecular FormulaC22H16FN7O
Molecular Weight413.42 g/mol
Exact Mass413.14
IUPAC NameN-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cn[nH]c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)nc1
InChIInChI=1S/C22H16FN7O/c1-13-7-8-17(24-10-13)15-11-25-28-20(15)22(31)26-18-9-19-27-21(14-5-3-2-4-6-14)29-30(19)12-16(18)23/h2-12H,1H3,(H,25,28)(H,26,31)
InChIKeyQPTDBRQXUVSTEO-UHFFFAOYSA-N
XLogP3.88
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(3-methoxypyrazin-2-yl)-1H-pyrazole-5-carboxamide
CID 144691472
N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-(6-methylpyrimidin-4-yl)pyrazole-5-carboxamide
CID 90383190
N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-(5-methylpyridazin-3-yl)pyrazole-5-carboxamide
CID 90383230
4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
CID 90383197
N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide
CID 90383377
N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 56931422
2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyridazin-3-yl)pyrazol-5-yl]ethanone
CID 157386298
3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid
CID 68657268
N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143528
N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 17409371
N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 66690075
N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634528

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide (CID 144691301) is N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cn[nH]c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)nc1.
What is the InChIKey of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QPTDBRQXUVSTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN7O/c1-13-7-8-17(24-10-13)15-11-25-28-20(15)22(31)26-18-9-19-27-21(14-5-3-2-4-6-14)29-30(19)12-16(18)23/h2-12H,1H3,(H,25,28)(H,26,31).
What are the key properties of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide?
N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide has a molecular weight of 413.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 144691301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).