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

C16H13FN8O — CID 90199100

IUPAC2-amino-6-fluoro-N-[4-(5-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cncn1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C16H13FN8O/c1-9-4-20-8-24(9)12-2-3-19-6-11(12)22-16(26)13-14(18)23-25-7-10(17)5-21-15(13)25/h2-8H,1H3,(H2,18,23)(H,22,26)
InChIKeyCIOPCGBVGHPZPR-UHFFFAOYSA-N
MW352.33 g/mol
LogP1.59
Rot. Bonds3

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

2-amino-6-fluoro-N-[4-(5-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199100) has the molecular formula C16H13FN8O and a molecular weight of 352.33 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-(5-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-(5-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199100
Molecular FormulaC16H13FN8O
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC Name2-amino-6-fluoro-N-[4-(5-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cncn1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C16H13FN8O/c1-9-4-20-8-24(9)12-2-3-19-6-11(12)22-16(26)13-14(18)23-25-7-10(17)5-21-15(13)25/h2-8H,1H3,(H2,18,23)(H,22,26)
InChIKeyCIOPCGBVGHPZPR-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-(5-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-(5-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199100) is 2-amino-6-fluoro-N-[4-(5-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-(5-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-(5-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cncn1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12.
What is the InChIKey of 2-amino-6-fluoro-N-[4-(5-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CIOPCGBVGHPZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN8O/c1-9-4-20-8-24(9)12-2-3-19-6-11(12)22-16(26)13-14(18)23-25-7-10(17)5-21-15(13)25/h2-8H,1H3,(H2,18,23)(H,22,26).
What are the key properties of 2-amino-6-fluoro-N-[4-(5-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-(5-methylimidazol-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-(5-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).