2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H13FN6OS — CID 85472924

IUPAC2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nsc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1ccccc1
InChIInChI=1S/C17H13FN6OS/c1-9-12(10-5-3-2-4-6-10)17(26-23-9)21-16(25)13-14(19)22-24-8-11(18)7-20-15(13)24/h2-8H,1H3,(H2,19,22)(H,21,25)
InChIKeyRZPHJPVNMYBKJL-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.13
Rot. Bonds3

About 2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 85472924) has the molecular formula C17H13FN6OS and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85472924
Molecular FormulaC17H13FN6OS
Molecular Weight368.40 g/mol
Exact Mass368.09
IUPAC Name2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nsc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1ccccc1
InChIInChI=1S/C17H13FN6OS/c1-9-12(10-5-3-2-4-6-10)17(26-23-9)21-16(25)13-14(19)22-24-8-11(18)7-20-15(13)24/h2-8H,1H3,(H2,19,22)(H,21,25)
InChIKeyRZPHJPVNMYBKJL-UHFFFAOYSA-N
XLogP3.13
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 85472924) is 2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nsc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1ccccc1.
What is the InChIKey of 2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RZPHJPVNMYBKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6OS/c1-9-12(10-5-3-2-4-6-10)17(26-23-9)21-16(25)13-14(19)22-24-8-11(18)7-20-15(13)24/h2-8H,1H3,(H2,19,22)(H,21,25).
What are the key properties of 2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 85472924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).