6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

C124H174BrIN30O10S — CID 160657051

IUPAC6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCC(C)(C)OC(=O)N1CCC(I)CC1.CCc1cc(Br)ncc1N.CCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ncc1N.CCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(C2CCN(S(C)(=O)=O)CC2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CCNCC2)ncc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C25H34N6O2.C24H32N6O2.C21H28N6O2S.C20H26N6.C17H27N3O2.C10H18INO2.C7H9BrN2/c1-7-17-12-19(18-8-10-31(11-9-18)24(32)33-25(2,3)4)26-15-22(17)30(6)23-13-21-20(14-27-23)28-16-29(21)5;1-6-16-11-18(17-7-9-30(10-8-17)23(31)32-24(2,3)4)25-13-19(16)28-22-12-21-20(14-26-22)27-15-29(21)5;1-5-15-10-17(16-6-8-27(9-7-16)30(4,28)29)22-13-20(15)26(3)21-11-19-18(12-23-21)24-14-25(19)2;1-4-14-9-16(15-5-7-21-8-6-15)22-12-19(14)26(3)20-10-18-17(11-23-20)24-13-25(18)2;1-5-12-10-15(19-11-14(12)18)13-6-8-20(9-7-13)16(21)22-17(2,3)4;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-2-5-3-7(8)10-4-6(5)9/h12-16,18H,7-11H2,1-6H3;11-15,17H,6-10H2,1-5H3,(H,26,28);10-14,16H,5-9H2,1-4H3;9-13,15,21H,4-8H2,1-3H3;10-11,13H,5-9,18H2,1-4H3;8H,4-7H2,1-3H3;3-4H,2,9H2,1H3
InChIKeyRLENPWRDDOFZEI-UHFFFAOYSA-N
MW2483.83 g/mol
LogP23.74
Rot. Bonds20

About 6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 160657051) has the molecular formula C124H174BrIN30O10S and a molecular weight of 2483.83 g/mol. Its IUPAC name is 6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID160657051
Molecular FormulaC124H174BrIN30O10S
Molecular Weight2483.83 g/mol
Exact Mass2481.20
IUPAC Name6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCC(C)(C)OC(=O)N1CCC(I)CC1.CCc1cc(Br)ncc1N.CCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ncc1N.CCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(C2CCN(S(C)(=O)=O)CC2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CCNCC2)ncc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C25H34N6O2.C24H32N6O2.C21H28N6O2S.C20H26N6.C17H27N3O2.C10H18INO2.C7H9BrN2/c1-7-17-12-19(18-8-10-31(11-9-18)24(32)33-25(2,3)4)26-15-22(17)30(6)23-13-21-20(14-27-23)28-16-29(21)5;1-6-16-11-18(17-7-9-30(10-8-17)23(31)32-24(2,3)4)25-13-19(16)28-22-12-21-20(14-26-22)27-15-29(21)5;1-5-15-10-17(16-6-8-27(9-7-16)30(4,28)29)22-13-20(15)26(3)21-11-19-18(12-23-21)24-14-25(19)2;1-4-14-9-16(15-5-7-21-8-6-15)22-12-19(14)26(3)20-10-18-17(11-23-20)24-13-25(18)2;1-5-12-10-15(19-11-14(12)18)13-6-8-20(9-7-13)16(21)22-17(2,3)4;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-2-5-3-7(8)10-4-6(5)9/h12-16,18H,7-11H2,1-6H3;11-15,17H,6-10H2,1-5H3,(H,26,28);10-14,16H,5-9H2,1-4H3;9-13,15,21H,4-8H2,1-3H3;10-11,13H,5-9,18H2,1-4H3;8H,4-7H2,1-3H3;3-4H,2,9H2,1H3
InChIKeyRLENPWRDDOFZEI-UHFFFAOYSA-N
XLogP23.74
TPSA441.54 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds20
Heavy Atoms167
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002483.83
LogP ≤ 523.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

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'}

Analyze 6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 160657051) is 6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CC(C)(C)OC(=O)N1CCC(I)CC1.CCc1cc(Br)ncc1N.CCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ncc1N.CCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(C2CCN(S(C)(=O)=O)CC2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CCNCC2)ncc1N(C)c1cc2c(cn1)ncn2C.
What is the InChIKey of 6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is RLENPWRDDOFZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2.C24H32N6O2.C21H28N6O2S.C20H26N6.C17H27N3O2.C10H18INO2.C7H9BrN2/c1-7-17-12-19(18-8-10-31(11-9-18)24(32)33-25(2,3)4)26-15-22(17)30(6)23-13-21-20(14-27-23)28-16-29(21)5;1-6-16-11-18(17-7-9-30(10-8-17)23(31)32-24(2,3)4)25-13-19(16)28-22-12-21-20(14-26-22)27-15-29(21)5;1-5-15-10-17(16-6-8-27(9-7-16)30(4,28)29)22-13-20(15)26(3)21-11-19-18(12-23-21)24-14-25(19)2;1-4-14-9-16(15-5-7-21-8-6-15)22-12-19(14)26(3)20-10-18-17(11-23-20)24-13-25(18)2;1-5-12-10-15(19-11-14(12)18)13-6-8-20(9-7-13)16(21)22-17(2,3)4;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-2-5-3-7(8)10-4-6(5)9/h12-16,18H,7-11H2,1-6H3;11-15,17H,6-10H2,1-5H3,(H,26,28);10-14,16H,5-9H2,1-4H3;9-13,15,21H,4-8H2,1-3H3;10-11,13H,5-9,18H2,1-4H3;8H,4-7H2,1-3H3;3-4H,2,9H2,1H3.
What are the key properties of 6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 2483.83 g/mol, XLogP of 23.74, 20 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 160657051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).