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

C40H54N10O6S2 — CID 160820136

IUPAC1-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
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)NCC(C)(C)CN3C(=O)CNC3=O)cc12.Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H](C)CN3C(=O)CNC3=O)cc12
InChIInChI=1S/C21H29N5O3S.C19H25N5O3S/c1-13-15-9-16(30-19(15)26(24-13)14-7-5-4-6-8-14)18(28)23-11-21(2,3)12-25-17(27)10-22-20(25)29;1-11(10-23-16(25)9-20-19(23)27)21-17(26)15-8-14-12(2)22-24(18(14)28-15)13-6-4-3-5-7-13/h9,14H,4-8,10-12H2,1-3H3,(H,22,29)(H,23,28);8,11,13H,3-7,9-10H2,1-2H3,(H,20,27)(H,21,26)/t;11-/m.1/s1
InChIKeySFKXWQPCDDBNRU-HVZQFPCNSA-N
MW835.07 g/mol
LogP5.80
Rot. Bonds11

About 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

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 (PubChem CID 160820136) has the molecular formula C40H54N10O6S2 and a molecular weight of 835.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID160820136
Molecular FormulaC40H54N10O6S2
Molecular Weight835.07 g/mol
Exact Mass834.37
IUPAC Name1-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
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)NCC(C)(C)CN3C(=O)CNC3=O)cc12.Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H](C)CN3C(=O)CNC3=O)cc12
InChIInChI=1S/C21H29N5O3S.C19H25N5O3S/c1-13-15-9-16(30-19(15)26(24-13)14-7-5-4-6-8-14)18(28)23-11-21(2,3)12-25-17(27)10-22-20(25)29;1-11(10-23-16(25)9-20-19(23)27)21-17(26)15-8-14-12(2)22-24(18(14)28-15)13-6-4-3-5-7-13/h9,14H,4-8,10-12H2,1-3H3,(H,22,29)(H,23,28);8,11,13H,3-7,9-10H2,1-2H3,(H,20,27)(H,21,26)/t;11-/m.1/s1
InChIKeySFKXWQPCDDBNRU-HVZQFPCNSA-N
XLogP5.80
TPSA192.66 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500835.07
LogP ≤ 55.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(C2CCCCC2)c2sc(C(=O)NCC(C)(C)CN3C(=O)CNC3=O)cc12.Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H](C)CN3C(=O)CNC3=O)cc12.
What is the InChIKey of 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?
The InChIKey is SFKXWQPCDDBNRU-HVZQFPCNSA-N. The full InChI is InChI=1S/C21H29N5O3S.C19H25N5O3S/c1-13-15-9-16(30-19(15)26(24-13)14-7-5-4-6-8-14)18(28)23-11-21(2,3)12-25-17(27)10-22-20(25)29;1-11(10-23-16(25)9-20-19(23)27)21-17(26)15-8-14-12(2)22-24(18(14)28-15)13-6-4-3-5-7-13/h9,14H,4-8,10-12H2,1-3H3,(H,22,29)(H,23,28);8,11,13H,3-7,9-10H2,1-2H3,(H,20,27)(H,21,26)/t;11-/m.1/s1.
What are the key properties of 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?
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 has a molecular weight of 835.07 g/mol, XLogP of 5.80, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160820136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).