1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide

C24H36N4O4 — CID 68893289

IUPAC1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N[C@H](C(=O)NCCO)C(C)(C)C)nn2CC1CCCCC1
InChIInChI=1S/C24H36N4O4/c1-24(2,3)21(23(31)25-12-13-29)26-22(30)20-18-14-17(32-4)10-11-19(18)28(27-20)15-16-8-6-5-7-9-16/h10-11,14,16,21,29H,5-9,12-13,15H2,1-4H3,(H,25,31)(H,26,30)/t21-/m1/s1
InChIKeyYDCFFFFXIMZNPB-OAQYLSRUSA-N
MW444.58 g/mol
LogP2.88
Rot. Bonds8

About 1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide

1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide (PubChem CID 68893289) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide
PubChem CID68893289
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC Name1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N[C@H](C(=O)NCCO)C(C)(C)C)nn2CC1CCCCC1
InChIInChI=1S/C24H36N4O4/c1-24(2,3)21(23(31)25-12-13-29)26-22(30)20-18-14-17(32-4)10-11-19(18)28(27-20)15-16-8-6-5-7-9-16/h10-11,14,16,21,29H,5-9,12-13,15H2,1-4H3,(H,25,31)(H,26,30)/t21-/m1/s1
InChIKeyYDCFFFFXIMZNPB-OAQYLSRUSA-N
XLogP2.88
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-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-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide (CID 68893289) is 1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide is COc1ccc2c(c1)c(C(=O)N[C@H](C(=O)NCCO)C(C)(C)C)nn2CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide?
The InChIKey is YDCFFFFXIMZNPB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-24(2,3)21(23(31)25-12-13-29)26-22(30)20-18-14-17(32-4)10-11-19(18)28(27-20)15-16-8-6-5-7-9-16/h10-11,14,16,21,29H,5-9,12-13,15H2,1-4H3,(H,25,31)(H,26,30)/t21-/m1/s1.
What are the key properties of 1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide?
1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxyindazole-3-carboxamide is sourced from PubChem (CID 68893289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).