5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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

C81H117N15O11 — CID 161322643

IUPAC5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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
SMILESCCc1c(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
InChIInChI=1S/C24H36N4O3.C23H34N4O3.C22H32N4O3.C12H15N3O2/c1-6-19-20(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/h12-13,16-18H,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
InChIKeyVKIQOBWAUVLKGW-UHFFFAOYSA-N
MW1476.92 g/mol
LogP11.17
Rot. Bonds22

About 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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

5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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 161322643) has the molecular formula C81H117N15O11 and a molecular weight of 1476.92 g/mol. Its IUPAC name is 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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 Name5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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 CID161322643
Molecular FormulaC81H117N15O11
Molecular Weight1476.92 g/mol
Exact Mass1475.91
IUPAC Name5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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
SMILESCCc1c(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
InChIInChI=1S/C24H36N4O3.C23H34N4O3.C22H32N4O3.C12H15N3O2/c1-6-19-20(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/h12-13,16-18H,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
InChIKeyVKIQOBWAUVLKGW-UHFFFAOYSA-N
XLogP11.17
TPSA269.42 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001476.92
LogP ≤ 511.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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 161322643) is 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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 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.
What is the InChIKey of 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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 VKIQOBWAUVLKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3.C23H34N4O3.C22H32N4O3.C12H15N3O2/c1-6-19-20(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/h12-13,16-18H,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.
What are the key properties of 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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?
5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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 1476.92 g/mol, XLogP of 11.17, 22 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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 161322643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).