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

C23H18FN7O — CID 157386298

IUPAC2-(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
SMILESCc1ccc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)nn1
InChIInChI=1S/C23H18FN7O/c1-14-8-9-19(28-27-14)17-12-25-30(2)22(17)20(32)10-16-11-21-26-23(15-6-4-3-5-7-15)29-31(21)13-18(16)24/h3-9,11-13H,10H2,1-2H3
InChIKeyCZLTWBTUNBQLTF-UHFFFAOYSA-N
MW427.44 g/mol
LogP3.46
Rot. Bonds5

About 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-(6-methylpyridazin-3-yl)pyrazol-5-yl]ethanone (PubChem CID 157386298) has the molecular formula C23H18FN7O and a molecular weight of 427.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID157386298
Molecular FormulaC23H18FN7O
Molecular Weight427.44 g/mol
Exact Mass427.16
IUPAC Name2-(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
SMILESCc1ccc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)nn1
InChIInChI=1S/C23H18FN7O/c1-14-8-9-19(28-27-14)17-12-25-30(2)22(17)20(32)10-16-11-21-26-23(15-6-4-3-5-7-15)29-31(21)13-18(16)24/h3-9,11-13H,10H2,1-2H3
InChIKeyCZLTWBTUNBQLTF-UHFFFAOYSA-N
XLogP3.46
TPSA90.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
1-[4-(5-fluoro-6-methylpyrimidin-4-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-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazol-5-yl]ethanone
CID 159644851
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
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
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
1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-fluoro-2-methylpyrimidin-4-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-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(3-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone
CID 162018748
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
1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
CID 159173964
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
1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid
CID 159476832
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
4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
CID 57377301

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)nn1.
What is the InChIKey of 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?
The InChIKey is CZLTWBTUNBQLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O/c1-14-8-9-19(28-27-14)17-12-25-30(2)22(17)20(32)10-16-11-21-26-23(15-6-4-3-5-7-15)29-31(21)13-18(16)24/h3-9,11-13H,10H2,1-2H3.
What are the key properties of 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-(6-methylpyridazin-3-yl)pyrazol-5-yl]ethanone has a molecular weight of 427.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157386298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).