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

C13H11FN6O — CID 90199141

IUPAC2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C13H11FN6O/c1-7-2-3-16-5-9(7)18-13(21)10-11(15)19-20-6-8(14)4-17-12(10)20/h2-6H,1H3,(H2,15,19)(H,18,21)
InChIKeyXYLSWJBCCNYDOL-UHFFFAOYSA-N
MW286.27 g/mol
LogP1.41
Rot. Bonds2

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

2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199141) has the molecular formula C13H11FN6O and a molecular weight of 286.27 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199141
Molecular FormulaC13H11FN6O
Molecular Weight286.27 g/mol
Exact Mass286.10
IUPAC Name2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C13H11FN6O/c1-7-2-3-16-5-9(7)18-13(21)10-11(15)19-20-6-8(14)4-17-12(10)20/h2-6H,1H3,(H2,15,19)(H,18,21)
InChIKeyXYLSWJBCCNYDOL-UHFFFAOYSA-N
XLogP1.41
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199141) is 2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12.
What is the InChIKey of 2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XYLSWJBCCNYDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6O/c1-7-2-3-16-5-9(7)18-13(21)10-11(15)19-20-6-8(14)4-17-12(10)20/h2-6H,1H3,(H2,15,19)(H,18,21).
What are the key properties of 2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 286.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).