tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one

C90H109ClF5N23O15 — CID 160991266

About tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one

tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 160991266) has the molecular formula C90H109ClF5N23O15 and a molecular weight of 1883.45 g/mol. Its IUPAC name is tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 160991266
• Molecular Formula: C90H109ClF5N23O15
• Molecular Weight: 1883.45 g/mol
• Exact Mass: 1881.81
• IUPAC Name: tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.Cn1c(=O)n(C2CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)c2cccnc21.Cn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2cccnc21.Cn1c(=O)n(C2CCNCC2)c2cccnc21.O=C(Cl)Oc1ccc([N+](=O)[O-])cc1.O=c1[nH]c2ncccc2n1C1CCNCC1
• InChI: InChI=1S/C27H29F5N6O3.C17H24N4O3.C16H22N4O3.C12H16N4O.C11H14N4O.C7H4ClNO4/c1-35-23-21(6-3-11-33-23)38(26(35)41)17-9-12-36(13-10-17)25(40)34-20-8-7-16(18-4-2-5-19(28)22(18)29)14-37(24(20)39)15-27(30,31)32;1-17(2,3)24-16(23)20-10-7-12(8-11-20)21-13-6-5-9-18-14(13)19(4)15(21)22;1-16(2,3)23-15(22)19-9-6-11(7-10-19)20-12-5-4-8-17-13(12)18-14(20)21;1-15-11-10(3-2-6-14-11)16(12(15)17)9-4-7-13-8-5-9;16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8;8-7(10)13-6-3-1-5(2-4-6)9(11)12/h2-6,11,16-17,20H,7-10,12-15H2,1H3,(H,34,40);5-6,9,12H,7-8,10-11H2,1-4H3;4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,18,21);2-3,6,9,13H,4-5,7-8H2,1H3;1-2,5,8,12H,3-4,6-7H2,(H,13,14,16);1-4H/t16-,20-;;;;;/m1...../s1
• InChIKey: TUQUZUTVGJOJCS-YWJRBELKSA-N
• XLogP: 11.94
• TPSA: 426.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1883.45
LogP ≤ 5	11.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one (CID 160991266) is tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one is CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.Cn1c(=O)n(C2CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)c2cccnc21.Cn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2cccnc21.Cn1c(=O)n(C2CCNCC2)c2cccnc21.O=C(Cl)Oc1ccc([N+](=O)[O-])cc1.O=c1[nH]c2ncccc2n1C1CCNCC1.

What is the InChIKey of tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is TUQUZUTVGJOJCS-YWJRBELKSA-N. The full InChI is InChI=1S/C27H29F5N6O3.C17H24N4O3.C16H22N4O3.C12H16N4O.C11H14N4O.C7H4ClNO4/c1-35-23-21(6-3-11-33-23)38(26(35)41)17-9-12-36(13-10-17)25(40)34-20-8-7-16(18-4-2-5-19(28)22(18)29)14-37(24(20)39)15-27(30,31)32;1-17(2,3)24-16(23)20-10-7-12(8-11-20)21-13-6-5-9-18-14(13)19(4)15(21)22;1-16(2,3)23-15(22)19-9-6-11(7-10-19)20-12-5-4-8-17-13(12)18-14(20)21;1-15-11-10(3-2-6-14-11)16(12(15)17)9-4-7-13-8-5-9;16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8;8-7(10)13-6-3-1-5(2-4-6)9(11)12/h2-6,11,16-17,20H,7-10,12-15H2,1H3,(H,34,40);5-6,9,12H,7-8,10-11H2,1-4H3;4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,18,21);2-3,6,9,13H,4-5,7-8H2,1H3;1-2,5,8,12H,3-4,6-7H2,(H,13,14,16);1-4H/t16-,20-;;;;;/m1...../s1.

What are the key properties of tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one?

tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 1883.45 g/mol, XLogP of 11.94, 10 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;3-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridin-2-one;(4-nitrophenyl) carbonochloridate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 160991266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).