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

C70H56F3N21O3 — CID 158648363

IUPAC1-[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
SMILESCc1cc(C)nc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cc1ccc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)nn1.Cc1ccnc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1
InChIInChI=1S/C24H20FN7O.2C23H18FN7O/c1-14-9-15(2)28-24(27-14)18-12-26-31(3)22(18)20(33)10-17-11-21-29-23(16-7-5-4-6-8-16)30-32(21)13-19(17)25;1-14-8-9-25-23(27-14)17-12-26-30(2)21(17)19(32)10-16-11-20-28-22(15-6-4-3-5-7-15)29-31(20)13-18(16)24;1-14-8-9-19(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/h4-9,11-13H,10H2,1-3H3;2*3-9,11-13H,10H2,1-2H3
InChIKeyIBGBGUBDLGNTPQ-UHFFFAOYSA-N
MW1296.36 g/mol
LogP10.69
Rot. Bonds15

About 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

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 (PubChem CID 158648363) has the molecular formula C70H56F3N21O3 and a molecular weight of 1296.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158648363
Molecular FormulaC70H56F3N21O3
Molecular Weight1296.36 g/mol
Exact Mass1295.48
IUPAC Name1-[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
SMILESCc1cc(C)nc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cc1ccc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)nn1.Cc1ccnc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1
InChIInChI=1S/C24H20FN7O.2C23H18FN7O/c1-14-9-15(2)28-24(27-14)18-12-26-31(3)22(18)20(33)10-17-11-21-29-23(16-7-5-4-6-8-16)30-32(21)13-19(17)25;1-14-8-9-25-23(27-14)17-12-26-30(2)21(17)19(32)10-16-11-20-28-22(15-6-4-3-5-7-15)29-31(20)13-18(16)24;1-14-8-9-19(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/h4-9,11-13H,10H2,1-3H3;2*3-9,11-13H,10H2,1-2H3
InChIKeyIBGBGUBDLGNTPQ-UHFFFAOYSA-N
XLogP10.69
TPSA272.58 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001296.36
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)nc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cc1ccc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)nn1.Cc1ccnc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.
What is the InChIKey of 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?
The InChIKey is IBGBGUBDLGNTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O.2C23H18FN7O/c1-14-9-15(2)28-24(27-14)18-12-26-31(3)22(18)20(33)10-17-11-21-29-23(16-7-5-4-6-8-16)30-32(21)13-19(17)25;1-14-8-9-25-23(27-14)17-12-26-30(2)21(17)19(32)10-16-11-20-28-22(15-6-4-3-5-7-15)29-31(20)13-18(16)24;1-14-8-9-19(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/h4-9,11-13H,10H2,1-3H3;2*3-9,11-13H,10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1296.36 g/mol, XLogP of 10.69, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158648363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).