1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C15H16FN7OS — CID 171334721

IUPAC1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1nc2ncnn2c(N2CCC(F)(C(=O)Nc3nccs3)C2)c1C
InChIInChI=1S/C15H16FN7OS/c1-9-10(2)20-13-18-8-19-23(13)11(9)22-5-3-15(16,7-22)12(24)21-14-17-4-6-25-14/h4,6,8H,3,5,7H2,1-2H3,(H,17,21,24)
InChIKeyNWQFLAUPRHMICP-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.75
Rot. Bonds3

About 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171334721) has the molecular formula C15H16FN7OS and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171334721
Molecular FormulaC15H16FN7OS
Molecular Weight361.41 g/mol
Exact Mass361.11
IUPAC Name1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1nc2ncnn2c(N2CCC(F)(C(=O)Nc3nccs3)C2)c1C
InChIInChI=1S/C15H16FN7OS/c1-9-10(2)20-13-18-8-19-23(13)11(9)22-5-3-15(16,7-22)12(24)21-14-17-4-6-25-14/h4,6,8H,3,5,7H2,1-2H3,(H,17,21,24)
InChIKeyNWQFLAUPRHMICP-UHFFFAOYSA-N
XLogP1.75
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155804593
N-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162661748
N-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162662332
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71526585
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78098767
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 117718852
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16621163
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144734876
3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334190
1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334194
3-fluoro-1-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334720
3-fluoro-N-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidine-3-carboxamide
CID 171334773

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171334721) is 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1nc2ncnn2c(N2CCC(F)(C(=O)Nc3nccs3)C2)c1C.
What is the InChIKey of 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is NWQFLAUPRHMICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN7OS/c1-9-10(2)20-13-18-8-19-23(13)11(9)22-5-3-15(16,7-22)12(24)21-14-17-4-6-25-14/h4,6,8H,3,5,7H2,1-2H3,(H,17,21,24).
What are the key properties of 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171334721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).