1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C16H17FN6OS — CID 171997901

IUPAC1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(F)(C(=O)Nc3nccs3)C2)n2nc(C)cc2n1
InChIInChI=1S/C16H17FN6OS/c1-10-8-13(23-12(19-10)7-11(2)21-23)22-5-3-16(17,9-22)14(24)20-15-18-4-6-25-15/h4,6-8H,3,5,9H2,1-2H3,(H,18,20,24)
InChIKeyULXYCTQYBMHNDW-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.36
Rot. Bonds3

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

1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171997901) has the molecular formula C16H17FN6OS and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171997901
Molecular FormulaC16H17FN6OS
Molecular Weight360.42 g/mol
Exact Mass360.12
IUPAC Name1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(F)(C(=O)Nc3nccs3)C2)n2nc(C)cc2n1
InChIInChI=1S/C16H17FN6OS/c1-10-8-13(23-12(19-10)7-11(2)21-23)22-5-3-16(17,9-22)14(24)20-15-18-4-6-25-15/h4,6-8H,3,5,9H2,1-2H3,(H,18,20,24)
InChIKeyULXYCTQYBMHNDW-UHFFFAOYSA-N
XLogP2.36
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171997901) is 1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1cc(N2CCC(F)(C(=O)Nc3nccs3)C2)n2nc(C)cc2n1.
What is the InChIKey of 1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is ULXYCTQYBMHNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6OS/c1-10-8-13(23-12(19-10)7-11(2)21-23)22-5-3-16(17,9-22)14(24)20-15-18-4-6-25-15/h4,6-8H,3,5,9H2,1-2H3,(H,18,20,24).
What are the key properties of 1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171997901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).