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

C19H23N5O3S — CID 91108050

IUPAC1-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
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3Cc4c(O)[nH]c(=O)n4C3)cc12
InChIInChI=1S/C19H23N5O3S/c1-10-13-8-15(28-18(13)24(22-10)12-5-3-2-4-6-12)17(26)20-11-7-14-16(25)21-19(27)23(14)9-11/h8,11-12,25H,2-7,9H2,1H3,(H,20,26)(H,21,27)/t11-/m0/s1
InChIKeyRDWGQUKHXUDVMS-NSHDSACASA-N
MW401.49 g/mol
LogP2.46
Rot. Bonds3

About 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

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 (PubChem CID 91108050) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID91108050
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name1-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
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3Cc4c(O)[nH]c(=O)n4C3)cc12
InChIInChI=1S/C19H23N5O3S/c1-10-13-8-15(28-18(13)24(22-10)12-5-3-2-4-6-12)17(26)20-11-7-14-16(25)21-19(27)23(14)9-11/h8,11-12,25H,2-7,9H2,1H3,(H,20,26)(H,21,27)/t11-/m0/s1
InChIKeyRDWGQUKHXUDVMS-NSHDSACASA-N
XLogP2.46
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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1-cyclohexyl-N-[2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 91472575
N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66827873
N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
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[4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid
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N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
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N-[(2S)-2-benzylpyrrolidin-1-yl]-1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3Cc4c(O)[nH]c(=O)n4C3)cc12.
What is the InChIKey of 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?
The InChIKey is RDWGQUKHXUDVMS-NSHDSACASA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-10-13-8-15(28-18(13)24(22-10)12-5-3-2-4-6-12)17(26)20-11-7-14-16(25)21-19(27)23(14)9-11/h8,11-12,25H,2-7,9H2,1H3,(H,20,26)(H,21,27)/t11-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 401.49 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91108050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).