1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone

C25H23FN4O2S — CID 5308103

IUPAC1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cc4c(-c5ccccc5F)nn(C)c4s3)CC2)cc1
InChIInChI=1S/C25H23FN4O2S/c1-16(31)17-7-9-18(10-8-17)29-11-13-30(14-12-29)24(32)22-15-20-23(27-28(2)25(20)33-22)19-5-3-4-6-21(19)26/h3-10,15H,11-14H2,1-2H3
InChIKeyFYIPTLJERPYMPF-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.61
Rot. Bonds4

About 1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 5308103) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone
PubChem CID5308103
Molecular FormulaC25H23FN4O2S
Molecular Weight462.55 g/mol
Exact Mass462.15
IUPAC Name1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cc4c(-c5ccccc5F)nn(C)c4s3)CC2)cc1
InChIInChI=1S/C25H23FN4O2S/c1-16(31)17-7-9-18(10-8-17)29-11-13-30(14-12-29)24(32)22-15-20-23(27-28(2)25(20)33-22)19-5-3-4-6-21(19)26/h3-10,15H,11-14H2,1-2H3
InChIKeyFYIPTLJERPYMPF-UHFFFAOYSA-N
XLogP4.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone with MolForge

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Related Compounds

CID 680356
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CID 617776
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CID 1076000
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CID 1452121
CID 1452121
CID 5308230
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CID 44610732
CID 44610732
CID 46175179
CID 46175179
CID 46231930
CID 46231930
CID 46231932
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CID 3242544
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CID 747859
CID 747859

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone (CID 5308103) is 1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(-c5ccccc5F)nn(C)c4s3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is FYIPTLJERPYMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c1-16(31)17-7-9-18(10-8-17)29-11-13-30(14-12-29)24(32)22-15-20-23(27-28(2)25(20)33-22)19-5-3-4-6-21(19)26/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 462.55 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 5308103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).