[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone

C23H24FN5OS — CID 135844015

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2sccc2C)n2nccc2N1
InChIInChI=1S/C23H24FN5OS/c1-15-8-14-31-22(15)21-20(16(2)26-19-7-9-25-29(19)21)23(30)28-12-10-27(11-13-28)18-5-3-17(24)4-6-18/h3-9,14,21,26H,10-13H2,1-2H3
InChIKeySKAACXGDHBJQHQ-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.03
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone (PubChem CID 135844015) has the molecular formula C23H24FN5OS and a molecular weight of 437.54 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
PubChem CID135844015
Molecular FormulaC23H24FN5OS
Molecular Weight437.54 g/mol
Exact Mass437.17
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2sccc2C)n2nccc2N1
InChIInChI=1S/C23H24FN5OS/c1-15-8-14-31-22(15)21-20(16(2)26-19-7-9-25-29(19)21)23(30)28-12-10-27(11-13-28)18-5-3-17(24)4-6-18/h3-9,14,21,26H,10-13H2,1-2H3
InChIKeySKAACXGDHBJQHQ-UHFFFAOYSA-N
XLogP4.03
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone with MolForge

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Related Compounds

[4-(4-Fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 135453443
[7-(3,5-Dimethylphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135843968
[7-(5-Chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135843976
[4-(4-Fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methyl-1-benzothiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 135844017
N-{4-[(4-methyl-1-piperazinyl)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-thiophenecarboxamide
CID 1350909
(R)-2-(4-fluorophenyl)-6-(6-(3-(methylamino)pyrrolidin-1-yl)pyridin-3-yl)thieno[2,3-d]pyridazin-7(6H)-one
CID 11524613
(S)-2-(4-fluorophenyl)-6-(6-(3-(methylamino)pyrrolidin-1-yl)pyridin-3-yl)thieno[2,3-d]pyridazin-7(6H)-one
CID 11560835
US10577360, Example 1
CID 132010851
US10577360, Example 82
CID 132035905
US10577360, Example 119
CID 132036168
2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049187
US10577360, Example 22
CID 138584975

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone (CID 135844015) is [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-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-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone is CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2sccc2C)n2nccc2N1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The InChIKey is SKAACXGDHBJQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5OS/c1-15-8-14-31-22(15)21-20(16(2)26-19-7-9-25-29(19)21)23(30)28-12-10-27(11-13-28)18-5-3-17(24)4-6-18/h3-9,14,21,26H,10-13H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone has a molecular weight of 437.54 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone is sourced from PubChem (CID 135844015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).