1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

C24H23FN4O4S2 — CID 4068986

IUPAC1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H23FN4O4S2/c1-15-3-6-18(13-22(15)35(31,32)28-9-11-33-12-10-28)26-23(30)21-14-20-16(2)27-29(24(20)34-21)19-7-4-17(25)5-8-19/h3-8,13-14H,9-12H2,1-2H3,(H,26,30)
InChIKeyBRINCTKJIIBNEI-UHFFFAOYSA-N
MW514.60 g/mol
LogP4.12
Rot. Bonds5

About 1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 4068986) has the molecular formula C24H23FN4O4S2 and a molecular weight of 514.60 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID4068986
Molecular FormulaC24H23FN4O4S2
Molecular Weight514.60 g/mol
Exact Mass514.11
IUPAC Name1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H23FN4O4S2/c1-15-3-6-18(13-22(15)35(31,32)28-9-11-33-12-10-28)26-23(30)21-14-20-16(2)27-29(24(20)34-21)19-7-4-17(25)5-8-19/h3-8,13-14H,9-12H2,1-2H3,(H,26,30)
InChIKeyBRINCTKJIIBNEI-UHFFFAOYSA-N
XLogP4.12
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.60
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide
CID 55631550
[(2S)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2091922
N-(3-fluorophenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53008862
1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 52894174
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 5019286
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4162856
2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26759942
N-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819477
1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 4123479
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608353
5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 46408534
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 4068986) is 1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is BRINCTKJIIBNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4S2/c1-15-3-6-18(13-22(15)35(31,32)28-9-11-33-12-10-28)26-23(30)21-14-20-16(2)27-29(24(20)34-21)19-7-4-17(25)5-8-19/h3-8,13-14H,9-12H2,1-2H3,(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 514.60 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 4068986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).