5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H27FN4O2 — CID 46967949

IUPAC5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)C(NCc1ccccc1F)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1
InChIInChI=1S/C22H27FN4O2/c1-14(2)22(24-13-16-5-3-4-6-17(16)23)19-12-21(28)27-20(25-19)11-18(26-27)15-7-9-29-10-8-15/h3-6,11-12,14-15,22,24,26H,7-10,13H2,1-2H3
InChIKeyCDBCIEVQZUOCOC-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.54
Rot. Bonds6

About 5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46967949) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46967949
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)C(NCc1ccccc1F)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1
InChIInChI=1S/C22H27FN4O2/c1-14(2)22(24-13-16-5-3-4-6-17(16)23)19-12-21(28)27-20(25-19)11-18(26-27)15-7-9-29-10-8-15/h3-6,11-12,14-15,22,24,26H,7-10,13H2,1-2H3
InChIKeyCDBCIEVQZUOCOC-UHFFFAOYSA-N
XLogP3.54
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46967949) is 5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)C(NCc1ccccc1F)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CDBCIEVQZUOCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-14(2)22(24-13-16-5-3-4-6-17(16)23)19-12-21(28)27-20(25-19)11-18(26-27)15-7-9-29-10-8-15/h3-6,11-12,14-15,22,24,26H,7-10,13H2,1-2H3.
What are the key properties of 5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 398.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-fluorophenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46967949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).