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

C16H12FN7OS — CID 85472679

IUPAC2-amino-6-fluoro-N-(3-methyl-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nsc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1cccnc1
InChIInChI=1S/C16H12FN7OS/c1-8-11(9-3-2-4-19-5-9)16(26-23-8)21-15(25)12-13(18)22-24-7-10(17)6-20-14(12)24/h2-7H,1H3,(H2,18,22)(H,21,25)
InChIKeyKPRFNKCPIXHDJV-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.53
Rot. Bonds3

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

2-amino-6-fluoro-N-(3-methyl-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 85472679) has the molecular formula C16H12FN7OS and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(3-methyl-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(3-methyl-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85472679
Molecular FormulaC16H12FN7OS
Molecular Weight369.39 g/mol
Exact Mass369.08
IUPAC Name2-amino-6-fluoro-N-(3-methyl-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nsc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1cccnc1
InChIInChI=1S/C16H12FN7OS/c1-8-11(9-3-2-4-19-5-9)16(26-23-8)21-15(25)12-13(18)22-24-7-10(17)6-20-14(12)24/h2-7H,1H3,(H2,18,22)(H,21,25)
InChIKeyKPRFNKCPIXHDJV-UHFFFAOYSA-N
XLogP2.53
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(3-methyl-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-(3-methyl-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 85472679) is 2-amino-6-fluoro-N-(3-methyl-4-pyridin-3-yl-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-pyridin-3-yl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-(3-methyl-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nsc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1cccnc1.
What is the InChIKey of 2-amino-6-fluoro-N-(3-methyl-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KPRFNKCPIXHDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN7OS/c1-8-11(9-3-2-4-19-5-9)16(26-23-8)21-15(25)12-13(18)22-24-7-10(17)6-20-14(12)24/h2-7H,1H3,(H2,18,22)(H,21,25).
What are the key properties of 2-amino-6-fluoro-N-(3-methyl-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-(3-methyl-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(3-methyl-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 85472679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).