1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide

C28H34N4O3 — CID 138404049

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide
SMILESCC1CC(C)C(CNC(=O)c2cc(-c3cccc(CO)c3)cc3c2cnn3C2CCCC2)C(=O)N1
InChIInChI=1S/C28H34N4O3/c1-17-10-18(2)31-28(35)24(17)14-29-27(34)23-12-21(20-7-5-6-19(11-20)16-33)13-26-25(23)15-30-32(26)22-8-3-4-9-22/h5-7,11-13,15,17-18,22,24,33H,3-4,8-10,14,16H2,1-2H3,(H,29,34)(H,31,35)
InChIKeyVRIQHCWLLRUMMV-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.20
Rot. Bonds6

About 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide

1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide (PubChem CID 138404049) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide
PubChem CID138404049
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide
SMILESCC1CC(C)C(CNC(=O)c2cc(-c3cccc(CO)c3)cc3c2cnn3C2CCCC2)C(=O)N1
InChIInChI=1S/C28H34N4O3/c1-17-10-18(2)31-28(35)24(17)14-29-27(34)23-12-21(20-7-5-6-19(11-20)16-33)13-26-25(23)15-30-32(26)22-8-3-4-9-22/h5-7,11-13,15,17-18,22,24,33H,3-4,8-10,14,16H2,1-2H3,(H,29,34)(H,31,35)
InChIKeyVRIQHCWLLRUMMV-UHFFFAOYSA-N
XLogP4.20
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-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-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide (CID 138404049) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide is CC1CC(C)C(CNC(=O)c2cc(-c3cccc(CO)c3)cc3c2cnn3C2CCCC2)C(=O)N1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide?
The InChIKey is VRIQHCWLLRUMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-17-10-18(2)31-28(35)24(17)14-29-27(34)23-12-21(20-7-5-6-19(11-20)16-33)13-26-25(23)15-30-32(26)22-8-3-4-9-22/h5-7,11-13,15,17-18,22,24,33H,3-4,8-10,14,16H2,1-2H3,(H,29,34)(H,31,35).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]indazole-4-carboxamide is sourced from PubChem (CID 138404049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).