sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride

C170H227Cl2N28NaO29S2 — CID 157304578

IUPACsodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride
SMILESCC1CCC(CC(=O)O)CC1.CC1CCC(Cc2nc3cc(C(=O)O)cnc3n2C2CC2)CC1.CCS(=O)(=O)c1ccc(CN)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(CC2CCC(C)CC2)n3C2CC2)cc1.COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc(NC2CC2)c(CC(=O)CC2CCC(C)CC2)c1.COC(=O)c1cnc(NC2CC2)c(N)c1.COC(=O)c1cnc(NC2CC2)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)nc(CC1CCC(C)CC1)n2C1CC1.COC(=O)c1cnc2c(c1)nc(CC1CCC(C)CC1)n2C1CC1.COC(=O)c1cnc2c(c1)nc(CC1CCC(C)CC1)n2C1CC1.Cl.NC1CC1.[Na+].[OH-]
InChIInChI=1S/C27H34N4O3S.C20H28N2O3.3C19H25N3O2.C18H23N3O2.C10H11N3O4.C10H13N3O2.C9H13NO2S.C9H16O2.C7H5ClN2O4.C3H7N.ClH.Na.H2O/c1-3-35(33,34)23-12-8-20(9-13-23)16-29-27(32)21-15-24-26(28-17-21)31(22-10-11-22)25(30-24)14-19-6-4-18(2)5-7-19;1-13-3-5-14(6-4-13)9-18(23)11-15-10-16(20(24)25-2)12-21-19(15)22-17-7-8-17;3*1-12-3-5-13(6-4-12)9-17-21-16-10-14(19(23)24-2)11-20-18(16)22(17)15-7-8-15;1-11-2-4-12(5-3-11)8-16-20-15-9-13(18(22)23)10-19-17(15)21(16)14-6-7-14;1-17-10(14)6-4-8(13(15)16)9(11-5-6)12-7-2-3-7;1-15-10(14)6-4-8(11)9(12-5-6)13-7-2-3-7;1-2-13(11,12)9-5-3-8(7-10)4-6-9;1-7-2-4-8(5-3-7)6-9(10)11;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;4-3-1-2-3;;;/h8-9,12-13,15,17-19,22H,3-7,10-11,14,16H2,1-2H3,(H,29,32);10,12-14,17H,3-9,11H2,1-2H3,(H,21,22);3*10-13,15H,3-9H2,1-2H3;9-12,14H,2-8H2,1H3,(H,22,23);4-5,7H,2-3H2,1H3,(H,11,12);4-5,7H,2-3,11H2,1H3,(H,12,13);3-6H,2,7,10H2,1H3;7-8H,2-6H2,1H3,(H,10,11);2-3H,1H3;3H,1-2,4H2;1H;;1H2/q;;;;;;;;;;;;;+1;/p-1
InChIKeyDVHGFKJYXAZQPC-UHFFFAOYSA-M
MW3284.88 g/mol
LogP28.62
Rot. Bonds45

About sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride

sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride (PubChem CID 157304578) has the molecular formula C170H227Cl2N28NaO29S2 and a molecular weight of 3284.88 g/mol. Its IUPAC name is sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride.

Molecular Properties

Compound Namesodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride
PubChem CID157304578
Molecular FormulaC170H227Cl2N28NaO29S2
Molecular Weight3284.88 g/mol
Exact Mass3281.59
IUPAC Namesodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride
SMILESCC1CCC(CC(=O)O)CC1.CC1CCC(Cc2nc3cc(C(=O)O)cnc3n2C2CC2)CC1.CCS(=O)(=O)c1ccc(CN)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(CC2CCC(C)CC2)n3C2CC2)cc1.COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc(NC2CC2)c(CC(=O)CC2CCC(C)CC2)c1.COC(=O)c1cnc(NC2CC2)c(N)c1.COC(=O)c1cnc(NC2CC2)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)nc(CC1CCC(C)CC1)n2C1CC1.COC(=O)c1cnc2c(c1)nc(CC1CCC(C)CC1)n2C1CC1.COC(=O)c1cnc2c(c1)nc(CC1CCC(C)CC1)n2C1CC1.Cl.NC1CC1.[Na+].[OH-]
InChIInChI=1S/C27H34N4O3S.C20H28N2O3.3C19H25N3O2.C18H23N3O2.C10H11N3O4.C10H13N3O2.C9H13NO2S.C9H16O2.C7H5ClN2O4.C3H7N.ClH.Na.H2O/c1-3-35(33,34)23-12-8-20(9-13-23)16-29-27(32)21-15-24-26(28-17-21)31(22-10-11-22)25(30-24)14-19-6-4-18(2)5-7-19;1-13-3-5-14(6-4-13)9-18(23)11-15-10-16(20(24)25-2)12-21-19(15)22-17-7-8-17;3*1-12-3-5-13(6-4-12)9-17-21-16-10-14(19(23)24-2)11-20-18(16)22(17)15-7-8-15;1-11-2-4-12(5-3-11)8-16-20-15-9-13(18(22)23)10-19-17(15)21(16)14-6-7-14;1-17-10(14)6-4-8(13(15)16)9(11-5-6)12-7-2-3-7;1-15-10(14)6-4-8(11)9(12-5-6)13-7-2-3-7;1-2-13(11,12)9-5-3-8(7-10)4-6-9;1-7-2-4-8(5-3-7)6-9(10)11;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;4-3-1-2-3;;;/h8-9,12-13,15,17-19,22H,3-7,10-11,14,16H2,1-2H3,(H,29,32);10,12-14,17H,3-9,11H2,1-2H3,(H,21,22);3*10-13,15H,3-9H2,1-2H3;9-12,14H,2-8H2,1H3,(H,22,23);4-5,7H,2-3H2,1H3,(H,11,12);4-5,7H,2-3,11H2,1H3,(H,12,13);3-6H,2,7,10H2,1H3;7-8H,2-6H2,1H3,(H,10,11);2-3H,1H3;3H,1-2,4H2;1H;;1H2/q;;;;;;;;;;;;;+1;/p-1
InChIKeyDVHGFKJYXAZQPC-UHFFFAOYSA-M
XLogP28.62
TPSA808.69 Ų
H-Bond Donors9
H-Bond Acceptors52
Rotatable Bonds45
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003284.88
LogP ≤ 528.62
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

1-(6-Chloro-5-nitro-3-pyridinyl)ethanone;cyclopropanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate
CID 159159078
sodium;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride
CID 160767199
2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 167568549

Frequently Asked Questions

What is the IUPAC name of sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride?
The IUPAC name of sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride (CID 157304578) is sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride.
What is the SMILES notation for sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride?
The canonical SMILES for sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride is CC1CCC(CC(=O)O)CC1.CC1CCC(Cc2nc3cc(C(=O)O)cnc3n2C2CC2)CC1.CCS(=O)(=O)c1ccc(CN)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(CC2CCC(C)CC2)n3C2CC2)cc1.COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc(NC2CC2)c(CC(=O)CC2CCC(C)CC2)c1.COC(=O)c1cnc(NC2CC2)c(N)c1.COC(=O)c1cnc(NC2CC2)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)nc(CC1CCC(C)CC1)n2C1CC1.COC(=O)c1cnc2c(c1)nc(CC1CCC(C)CC1)n2C1CC1.COC(=O)c1cnc2c(c1)nc(CC1CCC(C)CC1)n2C1CC1.Cl.NC1CC1.[Na+].[OH-].
What is the InChIKey of sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride?
The InChIKey is DVHGFKJYXAZQPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H34N4O3S.C20H28N2O3.3C19H25N3O2.C18H23N3O2.C10H11N3O4.C10H13N3O2.C9H13NO2S.C9H16O2.C7H5ClN2O4.C3H7N.ClH.Na.H2O/c1-3-35(33,34)23-12-8-20(9-13-23)16-29-27(32)21-15-24-26(28-17-21)31(22-10-11-22)25(30-24)14-19-6-4-18(2)5-7-19;1-13-3-5-14(6-4-13)9-18(23)11-15-10-16(20(24)25-2)12-21-19(15)22-17-7-8-17;3*1-12-3-5-13(6-4-12)9-17-21-16-10-14(19(23)24-2)11-20-18(16)22(17)15-7-8-15;1-11-2-4-12(5-3-11)8-16-20-15-9-13(18(22)23)10-19-17(15)21(16)14-6-7-14;1-17-10(14)6-4-8(13(15)16)9(11-5-6)12-7-2-3-7;1-15-10(14)6-4-8(11)9(12-5-6)13-7-2-3-7;1-2-13(11,12)9-5-3-8(7-10)4-6-9;1-7-2-4-8(5-3-7)6-9(10)11;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;4-3-1-2-3;;;/h8-9,12-13,15,17-19,22H,3-7,10-11,14,16H2,1-2H3,(H,29,32);10,12-14,17H,3-9,11H2,1-2H3,(H,21,22);3*10-13,15H,3-9H2,1-2H3;9-12,14H,2-8H2,1H3,(H,22,23);4-5,7H,2-3H2,1H3,(H,11,12);4-5,7H,2-3,11H2,1H3,(H,12,13);3-6H,2,7,10H2,1H3;7-8H,2-6H2,1H3,(H,10,11);2-3H,1H3;3H,1-2,4H2;1H;;1H2/q;;;;;;;;;;;;;+1;/p-1.
What are the key properties of sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride?
sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride has a molecular weight of 3284.88 g/mol, XLogP of 28.62, 45 rotatable bonds, 9 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride is sourced from PubChem (CID 157304578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).