4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide

C29H42N6O3 — CID 137484842

About 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide

4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide (PubChem CID 137484842) has the molecular formula C29H42N6O3 and a molecular weight of 522.69 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide.

Molecular Properties

• Compound Name: 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide
• PubChem CID: 137484842
• Molecular Formula: C29H42N6O3
• Molecular Weight: 522.69 g/mol
• Exact Mass: 522.33
• IUPAC Name: 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide
• SMILES: CCc1c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(CC)C1CCC(N(C)C)CC1
• InChI: InChI=1S/C29H42N6O3/c1-8-21-22(28(36)30-16-24-26(38-7)14-18(3)32-29(24)37)15-25-23(17-31-34(25)6)27(21)35(9-2)20-12-10-19(11-13-20)33(4)5/h14-15,17,19-20H,8-13,16H2,1-7H3,(H,30,36)(H,32,37)
• InChIKey: XVXYPOWGTCOIMZ-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 95.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.69
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide?

The IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide (CID 137484842) is 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide.

What is the SMILES notation for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide?

The canonical SMILES for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide is CCc1c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(CC)C1CCC(N(C)C)CC1.

What is the InChIKey of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide?

The InChIKey is XVXYPOWGTCOIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N6O3/c1-8-21-22(28(36)30-16-24-26(38-7)14-18(3)32-29(24)37)15-25-23(17-31-34(25)6)27(21)35(9-2)20-12-10-19(11-13-20)33(4)5/h14-15,17,19-20H,8-13,16H2,1-7H3,(H,30,36)(H,32,37).

What are the key properties of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide?

4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide has a molecular weight of 522.69 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide is sourced from PubChem (CID 137484842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).