2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane

C110H122Cl6N34O7S2 — CID 159092313

About 2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane

2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane (PubChem CID 159092313) has the molecular formula C110H122Cl6N34O7S2 and a molecular weight of 2309.27 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane.

Molecular Properties

• Compound Name: 2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane
• PubChem CID: 159092313
• Molecular Formula: C110H122Cl6N34O7S2
• Molecular Weight: 2309.27 g/mol
• Exact Mass: 2304.78
• IUPAC Name: 2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane
• SMILES: C=S(C)(=O)C1CCN(c2cc(-c3nc4cccnc4n3C)c(Cl)cn2)CC1.CC(=O)N1CCCN(c2cc(-c3nc4cccnc4n3C)c(Cl)cn2)CC1.CC(=O)N1CCN(c2cc(-c3nc4cccnc4n3C)c(Cl)cn2)CC1.CC(=O)N1CCN(c2cc(-c3nc4cccnc4n3C)c(Cl)cn2)CC1.COC1CCN(c2cc(-c3nc4cccnc4n3C)c(Cl)cn2)CC1.Cn1c(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc2cccnc21
• InChI: InChI=1S/C19H21ClN6O.C19H22ClN5OS.C18H21ClN6O2S.2C18H19ClN6O.C18H20ClN5O/c1-13(27)25-7-4-8-26(10-9-25)17-11-14(15(20)12-22-17)18-23-16-5-3-6-21-19(16)24(18)2;1-24-18(23-16-5-4-8-21-19(16)24)14-11-17(22-12-15(14)20)25-9-6-13(7-10-25)27(2,3)26;1-24-17(22-15-4-3-7-20-18(15)24)13-10-16(21-11-14(13)19)25-8-5-12(6-9-25)23-28(2,26)27;2*1-12(26)24-6-8-25(9-7-24)16-10-13(14(19)11-21-16)17-22-15-4-3-5-20-18(15)23(17)2;1-23-17(22-15-4-3-7-20-18(15)23)13-10-16(21-11-14(13)19)24-8-5-12(25-2)6-9-24/h3,5-6,11-12H,4,7-10H2,1-2H3;4-5,8,11-13H,2,6-7,9-10H2,1,3H3;3-4,7,10-12,23H,5-6,8-9H2,1-2H3;2*3-5,10-11H,6-9H2,1-2H3;3-4,7,10-12H,5-6,8-9H2,1-2H3
• InChIKey: KCFJWFZHKWGPSV-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 414.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 16
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2309.27
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane?

The IUPAC name of 2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane (CID 159092313) is 2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane.

What is the SMILES notation for 2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane?

The canonical SMILES for 2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane is C=S(C)(=O)C1CCN(c2cc(-c3nc4cccnc4n3C)c(Cl)cn2)CC1.CC(=O)N1CCCN(c2cc(-c3nc4cccnc4n3C)c(Cl)cn2)CC1.CC(=O)N1CCN(c2cc(-c3nc4cccnc4n3C)c(Cl)cn2)CC1.CC(=O)N1CCN(c2cc(-c3nc4cccnc4n3C)c(Cl)cn2)CC1.COC1CCN(c2cc(-c3nc4cccnc4n3C)c(Cl)cn2)CC1.Cn1c(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc2cccnc21.

What is the InChIKey of 2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane?

The InChIKey is KCFJWFZHKWGPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O.C19H22ClN5OS.C18H21ClN6O2S.2C18H19ClN6O.C18H20ClN5O/c1-13(27)25-7-4-8-26(10-9-25)17-11-14(15(20)12-22-17)18-23-16-5-3-6-21-19(16)24(18)2;1-24-18(23-16-5-4-8-21-19(16)24)14-11-17(22-12-15(14)20)25-9-6-13(7-10-25)27(2,3)26;1-24-17(22-15-4-3-7-20-18(15)24)13-10-16(21-11-14(13)19)25-8-5-12(6-9-25)23-28(2,26)27;2*1-12(26)24-6-8-25(9-7-24)16-10-13(14(19)11-21-16)17-22-15-4-3-5-20-18(15)23(17)2;1-23-17(22-15-4-3-7-20-18(15)23)13-10-16(21-11-14(13)19)24-8-5-12(25-2)6-9-24/h3,5-6,11-12H,4,7-10H2,1-2H3;4-5,8,11-13H,2,6-7,9-10H2,1,3H3;3-4,7,10-12,23H,5-6,8-9H2,1-2H3;2*3-5,10-11H,6-9H2,1-2H3;3-4,7,10-12H,5-6,8-9H2,1-2H3.

What are the key properties of 2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane?

2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane has a molecular weight of 2309.27 g/mol, XLogP of 15.95, 16 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-3-methylimidazo[4,5-b]pyridine;1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;bis(1-[4-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone);N-[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;[1-[5-chloro-4-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane is sourced from PubChem (CID 159092313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).