1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine

C122H155Br5Cl2N30O15 — CID 158567675

IUPAC1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine
SMILESCC(C)(C)OC(=O)N1CCCC(Cc2cc(Br)ncc2N)C1.CC(C)(C)OC(=O)N1CCCC(Cc2cc(Br)ncc2[N+](=O)[O-])C1.CC(C)(C)OC(=O)N1CCCC(N)C1.CC(C)(C)OC(=O)N1CCCC(n2cnc3cnc(Br)cc32)C1.CC(C)(C)OC(=O)N1CCCC(n2cnc3cnc(N=C(c4ccccc4)c4ccccc4)cc32)C1.Nc1cc2c(cn1)ncn2C1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.Nc1cc2c(cn1)ncn2C1CCCNC1.O=[N+]([O-])c1cnc(Br)cc1Br
InChIInChI=1S/C29H31N5O2.C19H20Cl2N6O.C16H21BrN4O2.C16H22BrN3O4.C16H24BrN3O2.C11H15N5.C10H20N2O2.C5H2Br2N2O2/c1-29(2,3)36-28(35)33-16-10-15-23(19-33)34-20-31-24-18-30-26(17-25(24)34)32-27(21-11-6-4-7-12-21)22-13-8-5-9-14-22;20-12-4-13(21)6-14(5-12)23-9-19(28)26-3-1-2-15(10-26)27-11-25-16-8-24-18(22)7-17(16)27;1-16(2,3)23-15(22)20-6-4-5-11(9-20)21-10-19-12-8-18-14(17)7-13(12)21;1-16(2,3)24-15(21)19-6-4-5-11(10-19)7-12-8-14(17)18-9-13(12)20(22)23;1-16(2,3)22-15(21)20-6-4-5-11(10-20)7-12-8-14(17)19-9-13(12)18;12-11-4-10-9(6-14-11)15-7-16(10)8-2-1-3-13-5-8;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;6-3-1-5(7)8-2-4(3)9(10)11/h4-9,11-14,17-18,20,23H,10,15-16,19H2,1-3H3;4-8,11,15,23H,1-3,9-10H2,(H2,22,24);7-8,10-11H,4-6,9H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;8-9,11H,4-7,10,18H2,1-3H3;4,6-8,13H,1-3,5H2,(H2,12,14);8H,4-7,11H2,1-3H3;1-2H
InChIKeyHRRKHBZMNKQKDP-UHFFFAOYSA-N
MW2752.20 g/mol
LogP25.89
Rot. Bonds16

About 1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine

1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 158567675) has the molecular formula C122H155Br5Cl2N30O15 and a molecular weight of 2752.20 g/mol. Its IUPAC name is 1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID158567675
Molecular FormulaC122H155Br5Cl2N30O15
Molecular Weight2752.20 g/mol
Exact Mass2744.76
IUPAC Name1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine
SMILESCC(C)(C)OC(=O)N1CCCC(Cc2cc(Br)ncc2N)C1.CC(C)(C)OC(=O)N1CCCC(Cc2cc(Br)ncc2[N+](=O)[O-])C1.CC(C)(C)OC(=O)N1CCCC(N)C1.CC(C)(C)OC(=O)N1CCCC(n2cnc3cnc(Br)cc32)C1.CC(C)(C)OC(=O)N1CCCC(n2cnc3cnc(N=C(c4ccccc4)c4ccccc4)cc32)C1.Nc1cc2c(cn1)ncn2C1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.Nc1cc2c(cn1)ncn2C1CCCNC1.O=[N+]([O-])c1cnc(Br)cc1Br
InChIInChI=1S/C29H31N5O2.C19H20Cl2N6O.C16H21BrN4O2.C16H22BrN3O4.C16H24BrN3O2.C11H15N5.C10H20N2O2.C5H2Br2N2O2/c1-29(2,3)36-28(35)33-16-10-15-23(19-33)34-20-31-24-18-30-26(17-25(24)34)32-27(21-11-6-4-7-12-21)22-13-8-5-9-14-22;20-12-4-13(21)6-14(5-12)23-9-19(28)26-3-1-2-15(10-26)27-11-25-16-8-24-18(22)7-17(16)27;1-16(2,3)23-15(22)20-6-4-5-11(9-20)21-10-19-12-8-18-14(17)7-13(12)21;1-16(2,3)24-15(21)19-6-4-5-11(10-19)7-12-8-14(17)18-9-13(12)20(22)23;1-16(2,3)22-15(21)20-6-4-5-11(10-20)7-12-8-14(17)19-9-13(12)18;12-11-4-10-9(6-14-11)15-7-16(10)8-2-1-3-13-5-8;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;6-3-1-5(7)8-2-4(3)9(10)11/h4-9,11-14,17-18,20,23H,10,15-16,19H2,1-3H3;4-8,11,15,23H,1-3,9-10H2,(H2,22,24);7-8,10-11H,4-6,9H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;8-9,11H,4-7,10,18H2,1-3H3;4,6-8,13H,1-3,5H2,(H2,12,14);8H,4-7,11H2,1-3H3;1-2H
InChIKeyHRRKHBZMNKQKDP-UHFFFAOYSA-N
XLogP25.89
TPSA556.30 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds16
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002752.20
LogP ≤ 525.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine (CID 158567675) is 1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine is CC(C)(C)OC(=O)N1CCCC(Cc2cc(Br)ncc2N)C1.CC(C)(C)OC(=O)N1CCCC(Cc2cc(Br)ncc2[N+](=O)[O-])C1.CC(C)(C)OC(=O)N1CCCC(N)C1.CC(C)(C)OC(=O)N1CCCC(n2cnc3cnc(Br)cc32)C1.CC(C)(C)OC(=O)N1CCCC(n2cnc3cnc(N=C(c4ccccc4)c4ccccc4)cc32)C1.Nc1cc2c(cn1)ncn2C1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.Nc1cc2c(cn1)ncn2C1CCCNC1.O=[N+]([O-])c1cnc(Br)cc1Br.
What is the InChIKey of 1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is HRRKHBZMNKQKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2.C19H20Cl2N6O.C16H21BrN4O2.C16H22BrN3O4.C16H24BrN3O2.C11H15N5.C10H20N2O2.C5H2Br2N2O2/c1-29(2,3)36-28(35)33-16-10-15-23(19-33)34-20-31-24-18-30-26(17-25(24)34)32-27(21-11-6-4-7-12-21)22-13-8-5-9-14-22;20-12-4-13(21)6-14(5-12)23-9-19(28)26-3-1-2-15(10-26)27-11-25-16-8-24-18(22)7-17(16)27;1-16(2,3)23-15(22)20-6-4-5-11(9-20)21-10-19-12-8-18-14(17)7-13(12)21;1-16(2,3)24-15(21)19-6-4-5-11(10-19)7-12-8-14(17)18-9-13(12)20(22)23;1-16(2,3)22-15(21)20-6-4-5-11(10-20)7-12-8-14(17)19-9-13(12)18;12-11-4-10-9(6-14-11)15-7-16(10)8-2-1-3-13-5-8;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;6-3-1-5(7)8-2-4(3)9(10)11/h4-9,11-14,17-18,20,23H,10,15-16,19H2,1-3H3;4-8,11,15,23H,1-3,9-10H2,(H2,22,24);7-8,10-11H,4-6,9H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;8-9,11H,4-7,10,18H2,1-3H3;4,6-8,13H,1-3,5H2,(H2,12,14);8H,4-7,11H2,1-3H3;1-2H.
What are the key properties of 1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine?
1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 2752.20 g/mol, XLogP of 25.89, 16 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-aminoimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-[(5-amino-2-bromo-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[6-(benzhydrylideneamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl 3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 3-[(2-bromo-5-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;2,4-dibromo-5-nitropyridine;1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 158567675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).