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

C71H57F4N21O3 — CID 159644851

IUPAC1-[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
SMILESCc1cc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)ncn1.Cc1nc(C)c(C)c(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cc1ncnc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)c1F
InChIInChI=1S/C25H22FN7O.C23H17F2N7O.C23H18FN7O/c1-14-15(2)28-16(3)29-23(14)19-12-27-32(4)24(19)21(34)10-18-11-22-30-25(17-8-6-5-7-9-17)31-33(22)13-20(18)26;1-13-20(25)21(27-12-26-13)16-10-28-31(2)22(16)18(33)8-15-9-19-29-23(14-6-4-3-5-7-14)30-32(19)11-17(15)24;1-14-8-19(26-13-25-14)17-11-27-30(2)22(17)20(32)9-16-10-21-28-23(15-6-4-3-5-7-15)29-31(21)12-18(16)24/h5-9,11-13H,10H2,1-4H3;3-7,9-12H,8H2,1-2H3;3-8,10-13H,9H2,1-2H3
InChIKeyMQVBLTUYLCJLHD-UHFFFAOYSA-N
MW1328.37 g/mol
LogP11.14
Rot. Bonds15

About 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

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 (PubChem CID 159644851) has the molecular formula C71H57F4N21O3 and a molecular weight of 1328.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159644851
Molecular FormulaC71H57F4N21O3
Molecular Weight1328.37 g/mol
Exact Mass1327.49
IUPAC Name1-[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
SMILESCc1cc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)ncn1.Cc1nc(C)c(C)c(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cc1ncnc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)c1F
InChIInChI=1S/C25H22FN7O.C23H17F2N7O.C23H18FN7O/c1-14-15(2)28-16(3)29-23(14)19-12-27-32(4)24(19)21(34)10-18-11-22-30-25(17-8-6-5-7-9-17)31-33(22)13-20(18)26;1-13-20(25)21(27-12-26-13)16-10-28-31(2)22(16)18(33)8-15-9-19-29-23(14-6-4-3-5-7-14)30-32(19)11-17(15)24;1-14-8-19(26-13-25-14)17-11-27-30(2)22(17)20(32)9-16-10-21-28-23(15-6-4-3-5-7-15)29-31(21)12-18(16)24/h5-9,11-13H,10H2,1-4H3;3-7,9-12H,8H2,1-2H3;3-8,10-13H,9H2,1-2H3
InChIKeyMQVBLTUYLCJLHD-UHFFFAOYSA-N
XLogP11.14
TPSA272.58 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001328.37
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)ncn1.Cc1nc(C)c(C)c(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cc1ncnc(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)c1F.
What is the InChIKey of 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?
The InChIKey is MQVBLTUYLCJLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O.C23H17F2N7O.C23H18FN7O/c1-14-15(2)28-16(3)29-23(14)19-12-27-32(4)24(19)21(34)10-18-11-22-30-25(17-8-6-5-7-9-17)31-33(22)13-20(18)26;1-13-20(25)21(27-12-26-13)16-10-28-31(2)22(16)18(33)8-15-9-19-29-23(14-6-4-3-5-7-14)30-32(19)11-17(15)24;1-14-8-19(26-13-25-14)17-11-27-30(2)22(17)20(32)9-16-10-21-28-23(15-6-4-3-5-7-15)29-31(21)12-18(16)24/h5-9,11-13H,10H2,1-4H3;3-7,9-12H,8H2,1-2H3;3-8,10-13H,9H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1328.37 g/mol, XLogP of 11.14, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159644851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).