2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide

C20H16FN5O2 — CID 172656136

IUPAC2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1)c1ccccc1F
InChIInChI=1S/C20H16FN5O2/c21-16-4-2-1-3-15(16)20(28)23-10-7-14-11-19(27)26-18(24-14)12-17(25-26)13-5-8-22-9-6-13/h1-6,8-9,11-12,25H,7,10H2,(H,23,28)
InChIKeyKJYJQPGXPBDXNU-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.20
Rot. Bonds5

About 2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide

2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide (PubChem CID 172656136) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide
PubChem CID172656136
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1)c1ccccc1F
InChIInChI=1S/C20H16FN5O2/c21-16-4-2-1-3-15(16)20(28)23-10-7-14-11-19(27)26-18(24-14)12-17(25-26)13-5-8-22-9-6-13/h1-6,8-9,11-12,25H,7,10H2,(H,23,28)
InChIKeyKJYJQPGXPBDXNU-UHFFFAOYSA-N
XLogP2.20
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide (CID 172656136) is 2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide is O=C(NCCc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide?
The InChIKey is KJYJQPGXPBDXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c21-16-4-2-1-3-15(16)20(28)23-10-7-14-11-19(27)26-18(24-14)12-17(25-26)13-5-8-22-9-6-13/h1-6,8-9,11-12,25H,7,10H2,(H,23,28).
What are the key properties of 2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide?
2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide has a molecular weight of 377.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide is sourced from PubChem (CID 172656136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).