N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide

C22H17FN8O2 — CID 90383377

IUPACN-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide
SMILESCOc1nccc(-c2cnn(C)c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)n1
InChIInChI=1S/C22H17FN8O2/c1-30-19(14(11-25-30)16-8-9-24-22(27-16)33-2)21(32)26-17-10-18-28-20(13-6-4-3-5-7-13)29-31(18)12-15(17)23/h3-12H,1-2H3,(H,26,32)
InChIKeyZGUZOPYUVSAMLF-UHFFFAOYSA-N
MW444.43 g/mol
LogP2.99
Rot. Bonds5

About N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide

N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 90383377) has the molecular formula C22H17FN8O2 and a molecular weight of 444.43 g/mol. Its IUPAC name is N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide
PubChem CID90383377
Molecular FormulaC22H17FN8O2
Molecular Weight444.43 g/mol
Exact Mass444.15
IUPAC NameN-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide
SMILESCOc1nccc(-c2cnn(C)c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)n1
InChIInChI=1S/C22H17FN8O2/c1-30-19(14(11-25-30)16-8-9-24-22(27-16)33-2)21(32)26-17-10-18-28-20(13-6-4-3-5-7-13)29-31(18)12-15(17)23/h3-12H,1-2H3,(H,26,32)
InChIKeyZGUZOPYUVSAMLF-UHFFFAOYSA-N
XLogP2.99
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-(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)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 144691301
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
6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne
CID 159094717
1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;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;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone
CID 158648363
methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 57378953
N-[2-(N'-benzylcarbamimidoyl)-5-fluoro-4-pyridinyl]-1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide
CID 141487614
4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 90383093
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122304031

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-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 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) is N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide is COc1nccc(-c2cnn(C)c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)n1.
What is the InChIKey of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is ZGUZOPYUVSAMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN8O2/c1-30-19(14(11-25-30)16-8-9-24-22(27-16)33-2)21(32)26-17-10-18-28-20(13-6-4-3-5-7-13)29-31(18)12-15(17)23/h3-12H,1-2H3,(H,26,32).
What are the key properties of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide?
N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 444.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 9 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-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).