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

C16H13FN8O — CID 90200288

IUPAC2-amino-6-fluoro-N-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)n1
InChIInChI=1S/C16H13FN8O/c1-9-3-5-24(22-9)12-2-4-19-7-11(12)21-16(26)13-14(18)23-25-8-10(17)6-20-15(13)25/h2-8H,1H3,(H2,18,23)(H,21,26)
InChIKeyYVSDJGAVRAZJDD-UHFFFAOYSA-N
MW352.33 g/mol
LogP1.59
Rot. Bonds3

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

2-amino-6-fluoro-N-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90200288) has the molecular formula C16H13FN8O and a molecular weight of 352.33 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90200288
Molecular FormulaC16H13FN8O
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC Name2-amino-6-fluoro-N-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)n1
InChIInChI=1S/C16H13FN8O/c1-9-3-5-24(22-9)12-2-4-19-7-11(12)21-16(26)13-14(18)23-25-8-10(17)6-20-15(13)25/h2-8H,1H3,(H2,18,23)(H,21,26)
InChIKeyYVSDJGAVRAZJDD-UHFFFAOYSA-N
XLogP1.59
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.59
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-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90200288) is 2-amino-6-fluoro-N-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccn(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)n1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YVSDJGAVRAZJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN8O/c1-9-3-5-24(22-9)12-2-4-19-7-11(12)21-16(26)13-14(18)23-25-8-10(17)6-20-15(13)25/h2-8H,1H3,(H2,18,23)(H,21,26).
What are the key properties of 2-amino-6-fluoro-N-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 352.33 g/mol, XLogP of 1.59, 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-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90200288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).