tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride

C67H75ClN10O8 — CID 158627103

About tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride

tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride (PubChem CID 158627103) has the molecular formula C67H75ClN10O8 and a molecular weight of 1183.85 g/mol. Its IUPAC name is tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride.

Molecular Properties

• Compound Name: tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride
• PubChem CID: 158627103
• Molecular Formula: C67H75ClN10O8
• Molecular Weight: 1183.85 g/mol
• Exact Mass: 1182.55
• IUPAC Name: tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride
• SMILES: C.C.Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(=O)CC1=O)cn3CCN(C(=O)N1CCCCC1)C2.Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(=O)CC1=O)cn3CCN(C(=O)OC(C)(C)C)C2.O=C(Cl)N1CCCCC1
• InChI: InChI=1S/C30H29N5O3.C29H28N4O4.C6H10ClNO.2CH4/c1-19-13-20-17-34(30(38)32-8-4-2-5-9-32)12-11-33-18-22(21(14-19)29(20)33)27-24(36)15-25(37)28(27)23-16-31-26-7-3-6-10-35(23)26;1-17-11-18-15-32(28(36)37-29(2,3)4)10-9-31-16-20(19(12-17)27(18)31)25-22(34)13-23(35)26(25)21-14-30-24-7-5-6-8-33(21)24;7-6(9)8-4-2-1-3-5-8;;/h3,6-7,10,13-14,16,18H,2,4-5,8-9,11-12,15,17H2,1H3;5-8,11-12,14,16H,9-10,13,15H2,1-4H3;1-5H2;2*1H4
• InChIKey: HYSSFWIHLIWIBD-UHFFFAOYSA-N
• XLogP: 12.38
• TPSA: 186.14 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1183.85
LogP ≤ 5	12.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride?

The IUPAC name of tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride (CID 158627103) is tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride.

What is the SMILES notation for tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride?

The canonical SMILES for tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride is C.C.Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(=O)CC1=O)cn3CCN(C(=O)N1CCCCC1)C2.Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(=O)CC1=O)cn3CCN(C(=O)OC(C)(C)C)C2.O=C(Cl)N1CCCCC1.

What is the InChIKey of tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride?

The InChIKey is HYSSFWIHLIWIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3.C29H28N4O4.C6H10ClNO.2CH4/c1-19-13-20-17-34(30(38)32-8-4-2-5-9-32)12-11-33-18-22(21(14-19)29(20)33)27-24(36)15-25(37)28(27)23-16-31-26-7-3-6-10-35(23)26;1-17-11-18-15-32(28(36)37-29(2,3)4)10-9-31-16-20(19(12-17)27(18)31)25-22(34)13-23(35)26(25)21-14-30-24-7-5-6-8-33(21)24;7-6(9)8-4-2-1-3-5-8;;/h3,6-7,10,13-14,16,18H,2,4-5,8-9,11-12,15,17H2,1H3;5-8,11-12,14,16H,9-10,13,15H2,1-4H3;1-5H2;2*1H4.

What are the key properties of tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride?

tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride has a molecular weight of 1183.85 g/mol, XLogP of 12.38, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-6-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;4-imidazo[1,2-a]pyridin-3-yl-5-[6-methyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane;piperidine-1-carbonyl chloride is sourced from PubChem (CID 158627103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).