5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C61H79BrClN15O4 — CID 158482078

About 5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 158482078) has the molecular formula C61H79BrClN15O4 and a molecular weight of 1201.76 g/mol. Its IUPAC name is 5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

• Compound Name: 5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
• PubChem CID: 158482078
• Molecular Formula: C61H79BrClN15O4
• Molecular Weight: 1201.76 g/mol
• Exact Mass: 1199.53
• IUPAC Name: 5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
• SMILES: CC(C)(C)OC(=O)NCC1CCCCC1.CC(C)(C)OC(=O)NCC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1.Clc1ccc(Br)cn1.Nc1ncc2c3ccncc3n(C3CCCC3)c2n1
• InChI: InChI=1S/C30H38N8O2.C14H15N5.C12H23NO2.C5H3BrClN/c1-30(2,3)40-29(39)34-16-20-11-14-37(15-12-20)22-8-9-26(32-17-22)35-28-33-18-24-23-10-13-31-19-25(23)38(27(24)36-28)21-6-4-5-7-21;15-14-17-7-11-10-5-6-16-8-12(10)19(13(11)18-14)9-3-1-2-4-9;1-12(2,3)15-11(14)13-9-10-7-5-4-6-8-10;6-4-1-2-5(7)8-3-4/h8-10,13,17-21H,4-7,11-12,14-16H2,1-3H3,(H,34,39)(H,32,33,35,36);5-9H,1-4H2,(H2,15,17,18);10H,4-9H2,1-3H3,(H,13,14);1-3H
• InChIKey: HHQGLGLYTULKDJ-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 230.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.76
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

The IUPAC name of 5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 158482078) is 5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

What is the SMILES notation for 5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

The canonical SMILES for 5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is CC(C)(C)OC(=O)NCC1CCCCC1.CC(C)(C)OC(=O)NCC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1.Clc1ccc(Br)cn1.Nc1ncc2c3ccncc3n(C3CCCC3)c2n1.

What is the InChIKey of 5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

The InChIKey is HHQGLGLYTULKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8O2.C14H15N5.C12H23NO2.C5H3BrClN/c1-30(2,3)40-29(39)34-16-20-11-14-37(15-12-20)22-8-9-26(32-17-22)35-28-33-18-24-23-10-13-31-19-25(23)38(27(24)36-28)21-6-4-5-7-21;15-14-17-7-11-10-5-6-16-8-12(10)19(13(11)18-14)9-3-1-2-4-9;1-12(2,3)15-11(14)13-9-10-7-5-4-6-8-10;6-4-1-2-5(7)8-3-4/h8-10,13,17-21H,4-7,11-12,14-16H2,1-3H3,(H,34,39)(H,32,33,35,36);5-9H,1-4H2,(H2,15,17,18);10H,4-9H2,1-3H3,(H,13,14);1-3H.

What are the key properties of 5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine has a molecular weight of 1201.76 g/mol, XLogP of 14.24, 9 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-chloropyridine;tert-butyl N-(cyclohexylmethyl)carbamate;tert-butyl N-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]methyl]carbamate;8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is sourced from PubChem (CID 158482078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).