N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C22H19FN4O4S — CID 16807889

IUPACN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C22H19FN4O4S/c23-15-6-8-16(9-7-15)26-11-14(10-20(26)28)22(29)24-21-18-12-32(30,31)13-19(18)25-27(21)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,24,29)
InChIKeyPVUCASKZARBOQB-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.43
Rot. Bonds4

About N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 16807889) has the molecular formula C22H19FN4O4S and a molecular weight of 454.48 g/mol. Its IUPAC name is N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID16807889
Molecular FormulaC22H19FN4O4S
Molecular Weight454.48 g/mol
Exact Mass454.11
IUPAC NameN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C22H19FN4O4S/c23-15-6-8-16(9-7-15)26-11-14(10-20(26)28)22(29)24-21-18-12-32(30,31)13-19(18)25-27(21)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,24,29)
InChIKeyPVUCASKZARBOQB-UHFFFAOYSA-N
XLogP2.43
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 44892850
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44892823
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44892819
1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 44892854
N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44892829
1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 44892859
4-benzoyl-N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 5101582
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16812402
(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)carbamic acid
CID 71014545
N-(2-chlorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3122127
(3R)-N-(3,5-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350735
4-bromo-N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3352737

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 16807889) is N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PVUCASKZARBOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O4S/c23-15-6-8-16(9-7-15)26-11-14(10-20(26)28)22(29)24-21-18-12-32(30,31)13-19(18)25-27(21)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,24,29).
What are the key properties of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 16807889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).