2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide

C20H16FN5O2 — CID 98134868

IUPAC2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1
InChIInChI=1S/C20H16FN5O2/c21-15-3-1-13(2-4-15)9-19(27)23-12-16-10-20(28)26-18(24-16)11-17(25-26)14-5-7-22-8-6-14/h1-8,10-11,25H,9,12H2,(H,23,27)
InChIKeyLYMWBTAIGVCADQ-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.08
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide

2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide (PubChem CID 98134868) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
PubChem CID98134868
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1
InChIInChI=1S/C20H16FN5O2/c21-15-3-1-13(2-4-15)9-19(27)23-12-16-10-20(28)26-18(24-16)11-17(25-26)14-5-7-22-8-6-14/h1-8,10-11,25H,9,12H2,(H,23,27)
InChIKeyLYMWBTAIGVCADQ-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide (CID 98134868) is 2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide is O=C(Cc1ccc(F)cc1)NCc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
The InChIKey is LYMWBTAIGVCADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c21-15-3-1-13(2-4-15)9-19(27)23-12-16-10-20(28)26-18(24-16)11-17(25-26)14-5-7-22-8-6-14/h1-8,10-11,25H,9,12H2,(H,23,27).
What are the key properties of 2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide has a molecular weight of 377.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide is sourced from PubChem (CID 98134868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).