N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride

C127H169Cl2IN34O14S — CID 157393077

IUPACN-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC(I)C1.CCc1cc(C2CN(C(=O)OC(C)(C)C)C2)ncc1N.CCc1cc(C2CN(C(=O)OC(C)(C)C)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CN(C(=O)OC(C)(C)C)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(C2CN(C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-].CCc1cc(C2CN(S(C)(=O)=O)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CNC2)ncc1N(C)c1cc2c(cn1)ncn2C.Cl.Cn1cnc2cnc(Cl)cc21
InChIInChI=1S/C23H30N6O2.C22H28N6O2.C19H24N6O2S.C18H22N6.C15H21N3O4.C15H23N3O2.C8H14INO2.C7H6ClN3.ClH/c1-7-15-8-17(16-12-29(13-16)22(30)31-23(2,3)4)24-11-20(15)28(6)21-9-19-18(10-25-21)26-14-27(19)5;1-6-14-7-16(15-11-28(12-15)21(29)30-22(2,3)4)23-9-17(14)26-20-8-19-18(10-24-20)25-13-27(19)5;1-5-13-6-15(14-10-25(11-14)28(4,26)27)20-9-18(13)24(3)19-7-17-16(8-21-19)22-12-23(17)2;1-4-12-5-14(13-7-19-8-13)20-10-17(12)24(3)18-6-16-15(9-21-18)22-11-23(16)2;1-5-10-6-12(16-7-13(10)18(20)21)11-8-17(9-11)14(19)22-15(2,3)4;1-5-10-6-13(17-7-12(10)16)11-8-18(9-11)14(19)20-15(2,3)4;1-8(2,3)12-7(11)10-4-6(9)5-10;1-11-4-10-5-3-9-7(8)2-6(5)11;/h8-11,14,16H,7,12-13H2,1-6H3;7-10,13,15H,6,11-12H2,1-5H3,(H,24,26);6-9,12,14H,5,10-11H2,1-4H3;5-6,9-11,13,19H,4,7-8H2,1-3H3;6-7,11H,5,8-9H2,1-4H3;6-7,11H,5,8-9,16H2,1-4H3;6H,4-5H2,1-3H3;2-4H,1H3;1H
InChIKeyHKHLRADCISSDEZ-UHFFFAOYSA-N
MW2625.85 g/mol
LogP22.00
Rot. Bonds22

About N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride

N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride (PubChem CID 157393077) has the molecular formula C127H169Cl2IN34O14S and a molecular weight of 2625.85 g/mol. Its IUPAC name is N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride.

Molecular Properties

Compound NameN-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride
PubChem CID157393077
Molecular FormulaC127H169Cl2IN34O14S
Molecular Weight2625.85 g/mol
Exact Mass2623.17
IUPAC NameN-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC(I)C1.CCc1cc(C2CN(C(=O)OC(C)(C)C)C2)ncc1N.CCc1cc(C2CN(C(=O)OC(C)(C)C)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CN(C(=O)OC(C)(C)C)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(C2CN(C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-].CCc1cc(C2CN(S(C)(=O)=O)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CNC2)ncc1N(C)c1cc2c(cn1)ncn2C.Cl.Cn1cnc2cnc(Cl)cc21
InChIInChI=1S/C23H30N6O2.C22H28N6O2.C19H24N6O2S.C18H22N6.C15H21N3O4.C15H23N3O2.C8H14INO2.C7H6ClN3.ClH/c1-7-15-8-17(16-12-29(13-16)22(30)31-23(2,3)4)24-11-20(15)28(6)21-9-19-18(10-25-21)26-14-27(19)5;1-6-14-7-16(15-11-28(12-15)21(29)30-22(2,3)4)23-9-17(14)26-20-8-19-18(10-24-20)25-13-27(19)5;1-5-13-6-15(14-10-25(11-14)28(4,26)27)20-9-18(13)24(3)19-7-17-16(8-21-19)22-12-23(17)2;1-4-12-5-14(13-7-19-8-13)20-10-17(12)24(3)18-6-16-15(9-21-18)22-11-23(16)2;1-5-10-6-12(16-7-13(10)18(20)21)11-8-17(9-11)14(19)22-15(2,3)4;1-5-10-6-13(17-7-12(10)16)11-8-18(9-11)14(19)20-15(2,3)4;1-8(2,3)12-7(11)10-4-6(9)5-10;1-11-4-10-5-3-9-7(8)2-6(5)11;/h8-11,14,16H,7,12-13H2,1-6H3;7-10,13,15H,6,11-12H2,1-5H3,(H,24,26);6-9,12,14H,5,10-11H2,1-4H3;5-6,9-11,13,19H,4,7-8H2,1-3H3;6-7,11H,5,8-9H2,1-4H3;6-7,11H,5,8-9,16H2,1-4H3;6H,4-5H2,1-3H3;2-4H,1H3;1H
InChIKeyHKHLRADCISSDEZ-UHFFFAOYSA-N
XLogP22.00
TPSA518.91 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds22
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002625.85
LogP ≤ 522.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
CID 158024863
[4-[8-(6-Amino-5-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone;tert-butyl 4-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-chloroimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-nitro-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;[4-(8-chloroimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidin-1-yl]-cyclopropylmethanone;8-chloro-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridine;2,8-dichloro-7-nitro-1,5-naphthyridine
CID 158451666
tert-butyl N-[(1S,5R)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-3-ethylurea;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-N-methylmethanesulfonamide;[(1R,4R)-5-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-methyl-methylidene-oxo-lambda6-sulfane;2-[5-chloro-2-[(1S,4S)-6-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]-1-methylbenzimidazole;N-methyl-4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide;methyl 4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 160105239
N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-N-methylacetamide;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]-3-methylurea;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-1,3-dimethylurea;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]-1,3-dimethylurea;1-N'-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-N-methylethene-1,1-diamine;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 161570058
CID 161602867
CID 161602867

Frequently Asked Questions

What is the IUPAC name of N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride?
The IUPAC name of N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride (CID 157393077) is N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride.
What is the SMILES notation for N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride?
The canonical SMILES for N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride is CC(C)(C)OC(=O)N1CC(I)C1.CCc1cc(C2CN(C(=O)OC(C)(C)C)C2)ncc1N.CCc1cc(C2CN(C(=O)OC(C)(C)C)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CN(C(=O)OC(C)(C)C)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(C2CN(C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-].CCc1cc(C2CN(S(C)(=O)=O)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CNC2)ncc1N(C)c1cc2c(cn1)ncn2C.Cl.Cn1cnc2cnc(Cl)cc21.
What is the InChIKey of N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride?
The InChIKey is HKHLRADCISSDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2.C22H28N6O2.C19H24N6O2S.C18H22N6.C15H21N3O4.C15H23N3O2.C8H14INO2.C7H6ClN3.ClH/c1-7-15-8-17(16-12-29(13-16)22(30)31-23(2,3)4)24-11-20(15)28(6)21-9-19-18(10-25-21)26-14-27(19)5;1-6-14-7-16(15-11-28(12-15)21(29)30-22(2,3)4)23-9-17(14)26-20-8-19-18(10-24-20)25-13-27(19)5;1-5-13-6-15(14-10-25(11-14)28(4,26)27)20-9-18(13)24(3)19-7-17-16(8-21-19)22-12-23(17)2;1-4-12-5-14(13-7-19-8-13)20-10-17(12)24(3)18-6-16-15(9-21-18)22-11-23(16)2;1-5-10-6-12(16-7-13(10)18(20)21)11-8-17(9-11)14(19)22-15(2,3)4;1-5-10-6-13(17-7-12(10)16)11-8-18(9-11)14(19)20-15(2,3)4;1-8(2,3)12-7(11)10-4-6(9)5-10;1-11-4-10-5-3-9-7(8)2-6(5)11;/h8-11,14,16H,7,12-13H2,1-6H3;7-10,13,15H,6,11-12H2,1-5H3,(H,24,26);6-9,12,14H,5,10-11H2,1-4H3;5-6,9-11,13,19H,4,7-8H2,1-3H3;6-7,11H,5,8-9H2,1-4H3;6-7,11H,5,8-9,16H2,1-4H3;6H,4-5H2,1-3H3;2-4H,1H3;1H.
What are the key properties of N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride?
N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride has a molecular weight of 2625.85 g/mol, XLogP of 22.00, 22 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-(4-ethyl-5-nitro-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;hydrochloride is sourced from PubChem (CID 157393077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).