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

C22H23N5O3S — CID 91360653

IUPAC1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(-n4c(O)c[nH]c4=O)cc3)cc12
InChIInChI=1S/C22H23N5O3S/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/h7-12,16,28H,2-6H2,1H3,(H,23,30)(H,24,29)
InChIKeyNEAZFISAPMNWTC-UHFFFAOYSA-N
MW437.53 g/mol
LogP4.35
Rot. Bonds4

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

1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 91360653) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID91360653
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(-n4c(O)c[nH]c4=O)cc3)cc12
InChIInChI=1S/C22H23N5O3S/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/h7-12,16,28H,2-6H2,1H3,(H,23,30)(H,24,29)
InChIKeyNEAZFISAPMNWTC-UHFFFAOYSA-N
XLogP4.35
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 91360653) is 1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(-n4c(O)c[nH]c4=O)cc3)cc12.
What is the InChIKey of 1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is NEAZFISAPMNWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/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/h7-12,16,28H,2-6H2,1H3,(H,23,30)(H,24,29).
What are the key properties of 1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 4.35, 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-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 91360653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).