[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone

C25H26FN5O — CID 135453443

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(C)c2)n2nccc2N1
InChIInChI=1S/C25H26FN5O/c1-17-4-3-5-19(16-17)24-23(18(2)28-22-10-11-27-31(22)24)25(32)30-14-12-29(13-15-30)21-8-6-20(26)7-9-21/h3-11,16,24,28H,12-15H2,1-2H3
InChIKeyBQALJAYVWFPJHY-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.97
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone (PubChem CID 135453443) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
PubChem CID135453443
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(C)c2)n2nccc2N1
InChIInChI=1S/C25H26FN5O/c1-17-4-3-5-19(16-17)24-23(18(2)28-22-10-11-27-31(22)24)25(32)30-14-12-29(13-15-30)21-8-6-20(26)7-9-21/h3-11,16,24,28H,12-15H2,1-2H3
InChIKeyBQALJAYVWFPJHY-UHFFFAOYSA-N
XLogP3.97
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone (CID 135453443) is [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone is CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(C)c2)n2nccc2N1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The InChIKey is BQALJAYVWFPJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-17-4-3-5-19(16-17)24-23(18(2)28-22-10-11-27-31(22)24)25(32)30-14-12-29(13-15-30)21-8-6-20(26)7-9-21/h3-11,16,24,28H,12-15H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone has a molecular weight of 431.52 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone is sourced from PubChem (CID 135453443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).