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

C24H24FN5O2 — CID 135453446

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(O)c2)n2nccc2N1
InChIInChI=1S/C24H24FN5O2/c1-16-22(23(17-3-2-4-20(31)15-17)30-21(27-16)9-10-26-30)24(32)29-13-11-28(12-14-29)19-7-5-18(25)6-8-19/h2-10,15,23,27,31H,11-14H2,1H3
InChIKeyIRAZWDKSGDLGFY-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.37
Rot. Bonds3

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

[4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone (PubChem CID 135453446) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
PubChem CID135453446
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(O)c2)n2nccc2N1
InChIInChI=1S/C24H24FN5O2/c1-16-22(23(17-3-2-4-20(31)15-17)30-21(27-16)9-10-26-30)24(32)29-13-11-28(12-14-29)19-7-5-18(25)6-8-19/h2-10,15,23,27,31H,11-14H2,1H3
InChIKeyIRAZWDKSGDLGFY-UHFFFAOYSA-N
XLogP3.37
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone (CID 135453446) is [4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone is CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(O)c2)n2nccc2N1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The InChIKey is IRAZWDKSGDLGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-16-22(23(17-3-2-4-20(31)15-17)30-21(27-16)9-10-26-30)24(32)29-13-11-28(12-14-29)19-7-5-18(25)6-8-19/h2-10,15,23,27,31H,11-14H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone has a molecular weight of 433.49 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone is sourced from PubChem (CID 135453446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).