N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate

C123H182N22O16 — CID 161421794

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate (PubChem CID 161421794) has the molecular formula C123H182N22O16 and a molecular weight of 2224.95 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate
• PubChem CID: 161421794
• Molecular Formula: C123H182N22O16
• Molecular Weight: 2224.95 g/mol
• Exact Mass: 2223.41
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate
• SMILES: C.CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1.CCc1c(C(=O)O)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1.CCc1c(C(=O)OC)cc2c(cnn2C)c1N.CCc1c(C(=O)OC)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1.CCc1c(C(=O)OC)cc2c(cnn2C)c1NC1CCC(N2CC(OC)C2)CC1.COC1CN(C2CCC(=O)CC2)C1
• InChI: InChI=1S/C31H44N6O3.C24H36N4O3.C23H34N4O3.C22H32N4O3.C12H15N3O2.C10H17NO2.CH4/c1-7-24-25(30(38)32-15-26-19(3)13-20(4)34-31(26)39)14-28-27(16-33-35(28)5)29(24)37(8-2)22-11-9-21(10-12-22)36-17-23(18-36)40-6;1-6-19-20(24(29)31-5)12-22-21(13-25-26(22)3)23(19)28(7-2)17-10-8-16(9-11-17)27-14-18(15-27)30-4;1-5-18-19(23(28)29)11-21-20(12-24-25(21)3)22(18)27(6-2)16-9-7-15(8-10-16)26-13-17(14-26)30-4;1-5-17-18(22(27)29-4)10-20-19(11-23-25(20)2)21(17)24-14-6-8-15(9-7-14)26-12-16(13-26)28-3;1-4-7-8(12(16)17-3)5-10-9(11(7)13)6-14-15(10)2;1-13-10-6-11(7-10)8-2-4-9(12)5-3-8;/h13-14,16,21-23H,7-12,15,17-18H2,1-6H3,(H,32,38)(H,34,39);12-13,16-18H,6-11,14-15H2,1-5H3;11-12,15-17H,5-10,13-14H2,1-4H3,(H,28,29);10-11,14-16,24H,5-9,12-13H2,1-4H3;5-6H,4,13H2,1-3H3;8,10H,2-7H2,1H3;1H4
• InChIKey: VWVFNSYTIDOOTJ-UHFFFAOYSA-N
• XLogP: 16.48
• TPSA: 394.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 33
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2224.95
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

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 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate (CID 161421794) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate is C.CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1.CCc1c(C(=O)O)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1.CCc1c(C(=O)OC)cc2c(cnn2C)c1N.CCc1c(C(=O)OC)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1.CCc1c(C(=O)OC)cc2c(cnn2C)c1NC1CCC(N2CC(OC)C2)CC1.COC1CN(C2CCC(=O)CC2)C1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate?

The InChIKey is VWVFNSYTIDOOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N6O3.C24H36N4O3.C23H34N4O3.C22H32N4O3.C12H15N3O2.C10H17NO2.CH4/c1-7-24-25(30(38)32-15-26-19(3)13-20(4)34-31(26)39)14-28-27(16-33-35(28)5)29(24)37(8-2)22-11-9-21(10-12-22)36-17-23(18-36)40-6;1-6-19-20(24(29)31-5)12-22-21(13-25-26(22)3)23(19)28(7-2)17-10-8-16(9-11-17)27-14-18(15-27)30-4;1-5-18-19(23(28)29)11-21-20(12-24-25(21)3)22(18)27(6-2)16-9-7-15(8-10-16)26-13-17(14-26)30-4;1-5-17-18(22(27)29-4)10-20-19(11-23-25(20)2)21(17)24-14-6-8-15(9-7-14)26-12-16(13-26)28-3;1-4-7-8(12(16)17-3)5-10-9(11(7)13)6-14-15(10)2;1-13-10-6-11(7-10)8-2-4-9(12)5-3-8;/h13-14,16,21-23H,7-12,15,17-18H2,1-6H3,(H,32,38)(H,34,39);12-13,16-18H,6-11,14-15H2,1-5H3;11-12,15-17H,5-10,13-14H2,1-4H3,(H,28,29);10-11,14-16,24H,5-9,12-13H2,1-4H3;5-6H,4,13H2,1-3H3;8,10H,2-7H2,1H3;1H4.

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate has a molecular weight of 2224.95 g/mol, XLogP of 16.48, 33 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;methane;4-(3-methoxyazetidin-1-yl)cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate is sourced from PubChem (CID 161421794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).