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

C23H24FN5OS — CID 135844031

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(5-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccc(C)s2)n2nccc2N1
InChIInChI=1S/C23H24FN5OS/c1-15-3-8-19(31-15)22-21(16(2)26-20-9-10-25-29(20)22)23(30)28-13-11-27(12-14-28)18-6-4-17(24)5-7-18/h3-10,22,26H,11-14H2,1-2H3
InChIKeyAHKOOWLZQUXBJC-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.03
Rot. Bonds3

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

[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(5-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone (PubChem CID 135844031) 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-(5-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-(5-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
PubChem CID135844031
Molecular FormulaC23H24FN5OS
Molecular Weight437.54 g/mol
Exact Mass437.17
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(5-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccc(C)s2)n2nccc2N1
InChIInChI=1S/C23H24FN5OS/c1-15-3-8-19(31-15)22-21(16(2)26-20-9-10-25-29(20)22)23(30)28-13-11-27(12-14-28)18-6-4-17(24)5-7-18/h3-10,22,26H,11-14H2,1-2H3
InChIKeyAHKOOWLZQUXBJC-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-(5-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(5-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-(5-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone (CID 135844031) is [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(5-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-(5-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-(5-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone is CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccc(C)s2)n2nccc2N1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(5-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The InChIKey is AHKOOWLZQUXBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5OS/c1-15-3-8-19(31-15)22-21(16(2)26-20-9-10-25-29(20)22)23(30)28-13-11-27(12-14-28)18-6-4-17(24)5-7-18/h3-10,22,26H,11-14H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(5-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(5-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-(5-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone is sourced from PubChem (CID 135844031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).