(2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide

C23H36N4O3 — CID 56954284

IUPAC(2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide
SMILESCOCCn1nc([C@@H]2CCCN2C(=O)NC2CCCCC2)c2c1CC(C)(C)CC2=O
InChIInChI=1S/C23H36N4O3/c1-23(2)14-18-20(19(28)15-23)21(25-27(18)12-13-30-3)17-10-7-11-26(17)22(29)24-16-8-5-4-6-9-16/h16-17H,4-15H2,1-3H3,(H,24,29)/t17-/m0/s1
InChIKeyGGHRWLNVYAIKRN-KRWDZBQOSA-N
MW416.57 g/mol
LogP3.86
Rot. Bonds5

About (2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide

(2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 56954284) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID56954284
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name(2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide
SMILESCOCCn1nc([C@@H]2CCCN2C(=O)NC2CCCCC2)c2c1CC(C)(C)CC2=O
InChIInChI=1S/C23H36N4O3/c1-23(2)14-18-20(19(28)15-23)21(25-27(18)12-13-30-3)17-10-7-11-26(17)22(29)24-16-8-5-4-6-9-16/h16-17H,4-15H2,1-3H3,(H,24,29)/t17-/m0/s1
InChIKeyGGHRWLNVYAIKRN-KRWDZBQOSA-N
XLogP3.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-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 (2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide (CID 56954284) is (2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide is COCCn1nc([C@@H]2CCCN2C(=O)NC2CCCCC2)c2c1CC(C)(C)CC2=O.
What is the InChIKey of (2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is GGHRWLNVYAIKRN-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-23(2)14-18-20(19(28)15-23)21(25-27(18)12-13-30-3)17-10-7-11-26(17)22(29)24-16-8-5-4-6-9-16/h16-17H,4-15H2,1-3H3,(H,24,29)/t17-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide?
(2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[1-(2-methoxyethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 56954284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).