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

C19H15FN6O3S — CID 90199185

IUPAC2-amino-6-fluoro-N-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)cc1
InChIInChI=1S/C19H15FN6O3S/c1-30(28,29)13-4-2-11(3-5-13)14-6-7-22-9-15(14)24-19(27)16-17(21)25-26-10-12(20)8-23-18(16)26/h2-10H,1H3,(H2,21,25)(H,24,27)
InChIKeyAXKOLJGSNYWDDK-UHFFFAOYSA-N
MW426.43 g/mol
LogP2.17
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199185) has the molecular formula C19H15FN6O3S and a molecular weight of 426.43 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199185
Molecular FormulaC19H15FN6O3S
Molecular Weight426.43 g/mol
Exact Mass426.09
IUPAC Name2-amino-6-fluoro-N-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)cc1
InChIInChI=1S/C19H15FN6O3S/c1-30(28,29)13-4-2-11(3-5-13)14-6-7-22-9-15(14)24-19(27)16-17(21)25-26-10-12(20)8-23-18(16)26/h2-10H,1H3,(H2,21,25)(H,24,27)
InChIKeyAXKOLJGSNYWDDK-UHFFFAOYSA-N
XLogP2.17
TPSA132.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 52.17
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-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199185) is 2-amino-6-fluoro-N-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CS(=O)(=O)c1ccc(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)cc1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AXKOLJGSNYWDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O3S/c1-30(28,29)13-4-2-11(3-5-13)14-6-7-22-9-15(14)24-19(27)16-17(21)25-26-10-12(20)8-23-18(16)26/h2-10H,1H3,(H2,21,25)(H,24,27).
What are the key properties of 2-amino-6-fluoro-N-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.43 g/mol, XLogP of 2.17, 4 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-[4-(4-methylsulfonylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).