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

C16H12F2N8O — CID 90199447

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C16H12F2N8O/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h2-7H,1H3,(H2,19,24)(H,23,27)
InChIKeyRBQPCTBFIPVIJN-UHFFFAOYSA-N
MW370.32 g/mol
LogP1.64
Rot. Bonds3

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

2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199447) has the molecular formula C16H12F2N8O and a molecular weight of 370.32 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199447
Molecular FormulaC16H12F2N8O
Molecular Weight370.32 g/mol
Exact Mass370.11
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C16H12F2N8O/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h2-7H,1H3,(H2,19,24)(H,23,27)
InChIKeyRBQPCTBFIPVIJN-UHFFFAOYSA-N
XLogP1.64
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 51.64
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-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199447) is 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RBQPCTBFIPVIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N8O/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h2-7H,1H3,(H2,19,24)(H,23,27).
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 370.32 g/mol, XLogP of 1.64, 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-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).