4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate

C99H143N21O10 — CID 160507854

About 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate

4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate (PubChem CID 160507854) has the molecular formula C99H143N21O10 and a molecular weight of 1787.37 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate.

Molecular Properties

• Compound Name: 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate
• PubChem CID: 160507854
• Molecular Formula: C99H143N21O10
• Molecular Weight: 1787.37 g/mol
• Exact Mass: 1786.13
• IUPAC Name: 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate
• SMILES: CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c1cnn2C)C1CCC(N(C)C)CC1.CCN(c1c(C)c(C(=O)O)cc2c1cnn2C)C1CCC(N(C)C)CC1.CCN(c1c(C)c(C(=O)OC)cc2c1cnn2C)C1CCC(N(C)C)CC1.COC(=O)c1cc2c(cnn2C)c(N)c1C.COC(=O)c1cc2c(cnn2C)c(NC2CCC(N(C)C)CC2)c1C
• InChI: InChI=1S/C28H40N6O2.C21H32N4O2.C20H30N4O2.C19H28N4O2.C11H13N3O2/c1-8-34(21-11-9-20(10-12-21)32(5)6)26-19(4)22(14-25-24(26)16-30-33(25)7)27(35)29-15-23-17(2)13-18(3)31-28(23)36;1-7-25(16-10-8-15(9-11-16)23(3)4)20-14(2)17(21(26)27-6)12-19-18(20)13-22-24(19)5;1-6-24(15-9-7-14(8-10-15)22(3)4)19-13(2)16(20(25)26)11-18-17(19)12-21-23(18)5;1-12-15(19(24)25-5)10-17-16(11-20-23(17)4)18(12)21-13-6-8-14(9-7-13)22(2)3;1-6-7(11(15)16-3)4-9-8(10(6)12)5-13-14(9)2/h13-14,16,20-21H,8-12,15H2,1-7H3,(H,29,35)(H,31,36);12-13,15-16H,7-11H2,1-6H3;11-12,14-15H,6-10H2,1-5H3,(H,25,26);10-11,13-14,21H,6-9H2,1-5H3;4-5H,12H2,1-3H3
• InChIKey: QSQMSRDJPPAKAU-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 327.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1787.37
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate?

The IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate (CID 160507854) is 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate.

What is the SMILES notation for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate?

The canonical SMILES for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate is CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c1cnn2C)C1CCC(N(C)C)CC1.CCN(c1c(C)c(C(=O)O)cc2c1cnn2C)C1CCC(N(C)C)CC1.CCN(c1c(C)c(C(=O)OC)cc2c1cnn2C)C1CCC(N(C)C)CC1.COC(=O)c1cc2c(cnn2C)c(N)c1C.COC(=O)c1cc2c(cnn2C)c(NC2CCC(N(C)C)CC2)c1C.

What is the InChIKey of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate?

The InChIKey is QSQMSRDJPPAKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O2.C21H32N4O2.C20H30N4O2.C19H28N4O2.C11H13N3O2/c1-8-34(21-11-9-20(10-12-21)32(5)6)26-19(4)22(14-25-24(26)16-30-33(25)7)27(35)29-15-23-17(2)13-18(3)31-28(23)36;1-7-25(16-10-8-15(9-11-16)23(3)4)20-14(2)17(21(26)27-6)12-19-18(20)13-22-24(19)5;1-6-24(15-9-7-14(8-10-15)22(3)4)19-13(2)16(20(25)26)11-18-17(19)12-21-23(18)5;1-12-15(19(24)25-5)10-17-16(11-20-23(17)4)18(12)21-13-6-8-14(9-7-13)22(2)3;1-6-7(11(15)16-3)4-9-8(10(6)12)5-13-14(9)2/h13-14,16,20-21H,8-12,15H2,1-7H3,(H,29,35)(H,31,36);12-13,15-16H,7-11H2,1-6H3;11-12,14-15H,6-10H2,1-5H3,(H,25,26);10-11,13-14,21H,6-9H2,1-5H3;4-5H,12H2,1-3H3.

What are the key properties of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate?

4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate has a molecular weight of 1787.37 g/mol, XLogP of 14.67, 22 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylic acid;4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazole-6-carboxylate is sourced from PubChem (CID 160507854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).