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

C22H22FN5OS — CID 135844021

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccsc2)n2nccc2N1
InChIInChI=1S/C22H22FN5OS/c1-15-20(21(16-7-13-30-14-16)28-19(25-15)6-8-24-28)22(29)27-11-9-26(10-12-27)18-4-2-17(23)3-5-18/h2-8,13-14,21,25H,9-12H2,1H3
InChIKeyRGCYWXNXTIKTOU-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.72
Rot. Bonds3

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

[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 135844021) has the molecular formula C22H22FN5OS and a molecular weight of 423.52 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID135844021
Molecular FormulaC22H22FN5OS
Molecular Weight423.52 g/mol
Exact Mass423.15
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccsc2)n2nccc2N1
InChIInChI=1S/C22H22FN5OS/c1-15-20(21(16-7-13-30-14-16)28-19(25-15)6-8-24-28)22(29)27-11-9-26(10-12-27)18-4-2-17(23)3-5-18/h2-8,13-14,21,25H,9-12H2,1H3
InChIKeyRGCYWXNXTIKTOU-UHFFFAOYSA-N
XLogP3.72
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-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
3-Anilino-1-[4-(cyanomethyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 89462279
Cambridge id 5583804
CID 1350714
N-{4-[(4-methyl-1-piperazinyl)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-thiophenecarboxamide
CID 1350909
3-Anilino-1-[4-(cyanomethyl)-1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 89473543
US10577360, Example 1
CID 132010851
US10577360, Example 82
CID 132035905
US10577360, Example 119
CID 132036168
US10577360, Example 93
CID 132036346

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 135844021) is [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-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-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone is CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccsc2)n2nccc2N1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is RGCYWXNXTIKTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5OS/c1-15-20(21(16-7-13-30-14-16)28-19(25-15)6-8-24-28)22(29)27-11-9-26(10-12-27)18-4-2-17(23)3-5-18/h2-8,13-14,21,25H,9-12H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 423.52 g/mol, XLogP of 3.72, 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-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 135844021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).