1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C22H25N5O3S — CID 143163379

IUPAC1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4C(=O)CNC4O)cc3)cc12
InChIInChI=1S/C22H25N5O3S/c1-13-17-11-18(31-21(17)27(25-13)16-5-3-2-4-6-16)20(29)24-14-7-9-15(10-8-14)26-19(28)12-23-22(26)30/h7-11,16,22-23,30H,2-6,12H2,1H3,(H,24,29)
InChIKeyJDGBKAVMZZZJKJ-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.38
Rot. Bonds4

About 1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 143163379) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID143163379
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4C(=O)CNC4O)cc3)cc12
InChIInChI=1S/C22H25N5O3S/c1-13-17-11-18(31-21(17)27(25-13)16-5-3-2-4-6-16)20(29)24-14-7-9-15(10-8-14)26-19(28)12-23-22(26)30/h7-11,16,22-23,30H,2-6,12H2,1H3,(H,24,29)
InChIKeyJDGBKAVMZZZJKJ-UHFFFAOYSA-N
XLogP3.38
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 91360653
[4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid
CID 89437723
tert-butyl 4-[4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]sulfonylpiperazine-1-carboxylate
CID 71201286
N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 176716446
N-[(2S)-2-benzylpyrrolidin-1-yl]-1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 140536552
1-cyclohexyl-N-[(6S)-1-hydroxy-3-oxo-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-6-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 91108050
1-cyclohexyl-N-[2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 91472575
1-cyclohexyl-N-[3-(2,5-dioxoimidazolidin-1-yl)-2,2-dimethylpropyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;1-cyclohexyl-N-[(2R)-1-(2,5-dioxoimidazolidin-1-yl)propan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 160820136
1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 11568344
1-(4-bromophenyl)-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 3882124
N-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819477
3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819584

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 143163379) is 1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4C(=O)CNC4O)cc3)cc12.
What is the InChIKey of 1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is JDGBKAVMZZZJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-13-17-11-18(31-21(17)27(25-13)16-5-3-2-4-6-16)20(29)24-14-7-9-15(10-8-14)26-19(28)12-23-22(26)30/h7-11,16,22-23,30H,2-6,12H2,1H3,(H,24,29).
What are the key properties of 1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 143163379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).