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

C117H178N22O17 — CID 161444685

IUPAC4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate
SMILESCCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c1cnn2C)C1CCC(N(C)CCOC)CC1.CCN(c1c(C)c(C(=O)O)cc2c1cnn2C)C1CCC(N(C)CCOC)CC1.CCN(c1c(C)c(C(=O)OC)cc2c1cnn2C)C1CCC(N(C)CCOC)CC1.COC(=O)c1cc2c(cnn2C)c(N)c1C.COCCN(C)C1CCC(=O)CC1.COCCN(C)C1CCC(Nc2c(C)c(C(=O)OC)cc3c2cnn3C)CC1
InChIInChI=1S/C30H44N6O4.C23H36N4O3.C22H34N4O3.C21H32N4O3.C11H13N3O2.C10H19NO2/c1-8-36(22-11-9-21(10-12-22)34(4)13-14-39-6)28-20(3)23(16-26-24(28)18-32-35(26)5)29(37)31-17-25-27(40-7)15-19(2)33-30(25)38;1-7-27(18-10-8-17(9-11-18)25(3)12-13-29-5)22-16(2)19(23(28)30-6)14-21-20(22)15-24-26(21)4;1-6-26(17-9-7-16(8-10-17)24(3)11-12-29-5)21-15(2)18(22(27)28)13-20-19(21)14-23-25(20)4;1-14-17(21(26)28-5)12-19-18(13-22-25(19)3)20(14)23-15-6-8-16(9-7-15)24(2)10-11-27-4;1-6-7(11(15)16-3)4-9-8(10(6)12)5-13-14(9)2;1-11(7-8-13-2)9-3-5-10(12)6-4-9/h15-16,18,21-22H,8-14,17H2,1-7H3,(H,31,37)(H,33,38);14-15,17-18H,7-13H2,1-6H3;13-14,16-17H,6-12H2,1-5H3,(H,27,28);12-13,15-16,23H,6-11H2,1-5H3;4-5H,12H2,1-3H3;9H,3-8H2,1-2H3
InChIKeyVZSWGTQXCGENRO-UHFFFAOYSA-N
MW2164.85 g/mol
LogP15.51
Rot. Bonds39

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

4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate (PubChem CID 161444685) has the molecular formula C117H178N22O17 and a molecular weight of 2164.85 g/mol. Its IUPAC name is 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate.

Molecular Properties

Compound Name4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate
PubChem CID161444685
Molecular FormulaC117H178N22O17
Molecular Weight2164.85 g/mol
Exact Mass2163.37
IUPAC Name4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate
SMILESCCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c1cnn2C)C1CCC(N(C)CCOC)CC1.CCN(c1c(C)c(C(=O)O)cc2c1cnn2C)C1CCC(N(C)CCOC)CC1.CCN(c1c(C)c(C(=O)OC)cc2c1cnn2C)C1CCC(N(C)CCOC)CC1.COC(=O)c1cc2c(cnn2C)c(N)c1C.COCCN(C)C1CCC(=O)CC1.COCCN(C)C1CCC(Nc2c(C)c(C(=O)OC)cc3c2cnn3C)CC1
InChIInChI=1S/C30H44N6O4.C23H36N4O3.C22H34N4O3.C21H32N4O3.C11H13N3O2.C10H19NO2/c1-8-36(22-11-9-21(10-12-22)34(4)13-14-39-6)28-20(3)23(16-26-24(28)18-32-35(26)5)29(37)31-17-25-27(40-7)15-19(2)33-30(25)38;1-7-27(18-10-8-17(9-11-18)25(3)12-13-29-5)22-16(2)19(23(28)30-6)14-21-20(22)15-24-26(21)4;1-6-26(17-9-7-16(8-10-17)24(3)11-12-29-5)21-15(2)18(22(27)28)13-20-19(21)14-23-25(20)4;1-14-17(21(26)28-5)12-19-18(13-22-25(19)3)20(14)23-15-6-8-16(9-7-15)24(2)10-11-27-4;1-6-7(11(15)16-3)4-9-8(10(6)12)5-13-14(9)2;1-11(7-8-13-2)9-3-5-10(12)6-4-9/h15-16,18,21-22H,8-14,17H2,1-7H3,(H,31,37)(H,33,38);14-15,17-18H,7-13H2,1-6H3;13-14,16-17H,6-12H2,1-5H3,(H,27,28);12-13,15-16,23H,6-11H2,1-5H3;4-5H,12H2,1-3H3;9H,3-8H2,1-2H3
InChIKeyVZSWGTQXCGENRO-UHFFFAOYSA-N
XLogP15.51
TPSA403.68 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds39
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002164.85
LogP ≤ 515.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate with MolForge

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Related Compounds

2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;3-[3-[5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazol-6-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;2-[3-[4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one
CID 161239065
Methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1,5-dimethylindazole-6-carboxylate;methyl 4-[1,4-dioxaspiro[4.5]decan-8-yl(ethyl)amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-(4-oxocyclohexyl)amino]-1,5-dimethylindazole-6-carboxylate;2,2,2-trifluoroethanamine
CID 162180660
6-[3-(2-aminoethoxymethyl)phenyl]-1-[3-[3-[6-[3-[2-(dimethylamino)ethoxymethyl]phenyl]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]indazol-1-yl]cyclopentyl]cyclopentyl]-N-[(2-hydroxy-4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]indazole-4-carboxamide
CID 123247301
5-Ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;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 157693052
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-5-ethyl-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazole-6-carboxylate;methyl 5-ethyl-4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazole-6-carboxylate
CID 157856459
2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid
CID 158087518
5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazole-6-carboxylic acid;[4-[ethyl-[5-ethyl-6-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-methylindazol-4-yl]amino]cyclohexyl]-(2-methoxyethyl)-dimethylazanium
CID 159158681
(2S,4R,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanamide;[(1S,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;[(1R,2S,4S,5S)-4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-1-[1-(3-methoxypropyl)indazol-6-yl]-2-propan-2-ylhexyl] acetate;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(S)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide;N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[(R)-hydroxy-[1-(3-propan-2-yloxypropyl)indazol-6-yl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide
CID 159177884
Tert-butyl 2-[4-[[5-(1-phenylpropylcarbamoyl)indazol-1-yl]methyl]phenyl]benzoate;2-[4-[[5-(1-phenylpropylcarbamoyl)indazol-1-yl]methyl]phenyl]benzoic acid
CID 159365989
azane;5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxylate
CID 159636183
Benzyl 4-oxopiperidine-1-carboxylate;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 1,5-dimethyl-4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]indazole-6-carboxylate;methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl(piperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate;oxetan-3-one
CID 160043385
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;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
CID 160072594

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate?
The IUPAC name of 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate (CID 161444685) is 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate.
What is the SMILES notation for 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate?
The canonical SMILES for 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate is CCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c1cnn2C)C1CCC(N(C)CCOC)CC1.CCN(c1c(C)c(C(=O)O)cc2c1cnn2C)C1CCC(N(C)CCOC)CC1.CCN(c1c(C)c(C(=O)OC)cc2c1cnn2C)C1CCC(N(C)CCOC)CC1.COC(=O)c1cc2c(cnn2C)c(N)c1C.COCCN(C)C1CCC(=O)CC1.COCCN(C)C1CCC(Nc2c(C)c(C(=O)OC)cc3c2cnn3C)CC1.
What is the InChIKey of 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate?
The InChIKey is VZSWGTQXCGENRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N6O4.C23H36N4O3.C22H34N4O3.C21H32N4O3.C11H13N3O2.C10H19NO2/c1-8-36(22-11-9-21(10-12-22)34(4)13-14-39-6)28-20(3)23(16-26-24(28)18-32-35(26)5)29(37)31-17-25-27(40-7)15-19(2)33-30(25)38;1-7-27(18-10-8-17(9-11-18)25(3)12-13-29-5)22-16(2)19(23(28)30-6)14-21-20(22)15-24-26(21)4;1-6-26(17-9-7-16(8-10-17)24(3)11-12-29-5)21-15(2)18(22(27)28)13-20-19(21)14-23-25(20)4;1-14-17(21(26)28-5)12-19-18(13-22-25(19)3)20(14)23-15-6-8-16(9-7-15)24(2)10-11-27-4;1-6-7(11(15)16-3)4-9-8(10(6)12)5-13-14(9)2;1-11(7-8-13-2)9-3-5-10(12)6-4-9/h15-16,18,21-22H,8-14,17H2,1-7H3,(H,31,37)(H,33,38);14-15,17-18H,7-13H2,1-6H3;13-14,16-17H,6-12H2,1-5H3,(H,27,28);12-13,15-16,23H,6-11H2,1-5H3;4-5H,12H2,1-3H3;9H,3-8H2,1-2H3.
What are the key properties of 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate?
4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate has a molecular weight of 2164.85 g/mol, XLogP of 15.51, 39 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylic acid;4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one;methyl 4-amino-1,5-dimethylindazole-6-carboxylate;methyl 4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate;methyl 4-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate is sourced from PubChem (CID 161444685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).