1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C20H16FN5O2S — CID 55504584

IUPAC1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nc2sccc2c(=O)n1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C20H16FN5O2S/c1-11-22-19-15(9-10-29-19)20(28)25(11)24-18(27)17-14-3-2-4-16(14)26(23-17)13-7-5-12(21)6-8-13/h5-10H,2-4H2,1H3,(H,24,27)
InChIKeyKCWRSKFHZOZTJW-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.96
Rot. Bonds3

About 1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55504584) has the molecular formula C20H16FN5O2S and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55504584
Molecular FormulaC20H16FN5O2S
Molecular Weight409.45 g/mol
Exact Mass409.10
IUPAC Name1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nc2sccc2c(=O)n1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C20H16FN5O2S/c1-11-22-19-15(9-10-29-19)20(28)25(11)24-18(27)17-14-3-2-4-16(14)26(23-17)13-7-5-12(21)6-8-13/h5-10H,2-4H2,1H3,(H,24,27)
InChIKeyKCWRSKFHZOZTJW-UHFFFAOYSA-N
XLogP2.96
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55503814
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
CID 55372875
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608440
N-(2,6-dimethylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17442022
1-(4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166192581
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084
N-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 134036515
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
2-[[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 71915479
1-(4-fluorophenyl)-N-pentan-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17499040
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26017080

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55504584) is 1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1nc2sccc2c(=O)n1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is KCWRSKFHZOZTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2S/c1-11-22-19-15(9-10-29-19)20(28)25(11)24-18(27)17-14-3-2-4-16(14)26(23-17)13-7-5-12(21)6-8-13/h5-10H,2-4H2,1H3,(H,24,27).
What are the key properties of 1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55504584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).