1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one

C20H22FN5O — CID 56662271

IUPAC1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1cc(NCCCN2CCCC2=O)n2nc(-c3cccc(F)c3)cc2n1
InChIInChI=1S/C20H22FN5O/c1-14-11-18(22-8-4-10-25-9-3-7-20(25)27)26-19(23-14)13-17(24-26)15-5-2-6-16(21)12-15/h2,5-6,11-13,22H,3-4,7-10H2,1H3
InChIKeyJUNJVYAYJCTVIL-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.27
Rot. Bonds6

About 1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 56662271) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one
PubChem CID56662271
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1cc(NCCCN2CCCC2=O)n2nc(-c3cccc(F)c3)cc2n1
InChIInChI=1S/C20H22FN5O/c1-14-11-18(22-8-4-10-25-9-3-7-20(25)27)26-19(23-14)13-17(24-26)15-5-2-6-16(21)12-15/h2,5-6,11-13,22H,3-4,7-10H2,1H3
InChIKeyJUNJVYAYJCTVIL-UHFFFAOYSA-N
XLogP3.27
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one (CID 56662271) is 1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one is Cc1cc(NCCCN2CCCC2=O)n2nc(-c3cccc(F)c3)cc2n1.
What is the InChIKey of 1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is JUNJVYAYJCTVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-14-11-18(22-8-4-10-25-9-3-7-20(25)27)26-19(23-14)13-17(24-26)15-5-2-6-16(21)12-15/h2,5-6,11-13,22H,3-4,7-10H2,1H3.
What are the key properties of 1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 367.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 56662271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).