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

C22H16F2N8O — CID 90383229

IUPAC4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1ncnc(-c2cnn(C)c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)c1F
InChIInChI=1S/C22H16F2N8O/c1-12-18(24)19(26-11-25-12)14-9-27-31(2)20(14)22(33)28-16-8-17-29-21(13-6-4-3-5-7-13)30-32(17)10-15(16)23/h3-11H,1-2H3,(H,28,33)
InChIKeyNSRSEKKZSSFYRG-UHFFFAOYSA-N
MW446.42 g/mol
LogP3.43
Rot. Bonds4

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

4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 90383229) has the molecular formula C22H16F2N8O and a molecular weight of 446.42 g/mol. Its IUPAC name is 4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
PubChem CID90383229
Molecular FormulaC22H16F2N8O
Molecular Weight446.42 g/mol
Exact Mass446.14
IUPAC Name4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1ncnc(-c2cnn(C)c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)c1F
InChIInChI=1S/C22H16F2N8O/c1-12-18(24)19(26-11-25-12)14-9-27-31(2)20(14)22(33)28-16-8-17-29-21(13-6-4-3-5-7-13)30-32(17)10-15(16)23/h3-11H,1-2H3,(H,28,33)
InChIKeyNSRSEKKZSSFYRG-UHFFFAOYSA-N
XLogP3.43
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (CID 90383229) is 4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is Cc1ncnc(-c2cnn(C)c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)c1F.
What is the InChIKey of 4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is NSRSEKKZSSFYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N8O/c1-12-18(24)19(26-11-25-12)14-9-27-31(2)20(14)22(33)28-16-8-17-29-21(13-6-4-3-5-7-13)30-32(17)10-15(16)23/h3-11H,1-2H3,(H,28,33).
What are the key properties of 4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 446.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-6-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).