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

C21H22FN9O — CID 90383246

IUPAC4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1ncc(C)c(-c2cnn(C)c2C(=O)Nc2cc3nc(N4CCCC4)nn3cc2F)n1
InChIInChI=1S/C21H22FN9O/c1-12-9-23-13(2)25-18(12)14-10-24-29(3)19(14)20(32)26-16-8-17-27-21(30-6-4-5-7-30)28-31(17)11-15(16)22/h8-11H,4-7H2,1-3H3,(H,26,32)
InChIKeyRPGQLJCNVRPWCU-UHFFFAOYSA-N
MW435.47 g/mol
LogP2.53
Rot. Bonds4

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

4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 90383246) has the molecular formula C21H22FN9O and a molecular weight of 435.47 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
PubChem CID90383246
Molecular FormulaC21H22FN9O
Molecular Weight435.47 g/mol
Exact Mass435.19
IUPAC Name4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1ncc(C)c(-c2cnn(C)c2C(=O)Nc2cc3nc(N4CCCC4)nn3cc2F)n1
InChIInChI=1S/C21H22FN9O/c1-12-9-23-13(2)25-18(12)14-10-24-29(3)19(14)20(32)26-16-8-17-27-21(30-6-4-5-7-30)28-31(17)11-15(16)22/h8-11H,4-7H2,1-3H3,(H,26,32)
InChIKeyRPGQLJCNVRPWCU-UHFFFAOYSA-N
XLogP2.53
TPSA106.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (CID 90383246) is 4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is Cc1ncc(C)c(-c2cnn(C)c2C(=O)Nc2cc3nc(N4CCCC4)nn3cc2F)n1.
What is the InChIKey of 4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is RPGQLJCNVRPWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN9O/c1-12-9-23-13(2)25-18(12)14-10-24-29(3)19(14)20(32)26-16-8-17-27-21(30-6-4-5-7-30)28-31(17)11-15(16)22/h8-11H,4-7H2,1-3H3,(H,26,32).
What are the key properties of 4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrimidin-4-yl)-N-(6-fluoro-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).