12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide

C92H121BrCl6N16O4 — CID 158689653

About 12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide

12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide (PubChem CID 158689653) has the molecular formula C92H121BrCl6N16O4 and a molecular weight of 1807.71 g/mol. Its IUPAC name is 12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide.

Molecular Properties

• Compound Name: 12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
• PubChem CID: 158689653
• Molecular Formula: C92H121BrCl6N16O4
• Molecular Weight: 1807.71 g/mol
• Exact Mass: 1802.71
• IUPAC Name: 12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
• SMILES: Cc1ccc2c(c1)CCCc1c(C(=O)NN3CCCCC3)nn(CCCCCCl)c1-2.O=C(NN1CCCCC1)c1nn(CCCCCCl)c2c1CCCc1cc(Br)ccc1-2.O=C(NN1CCCCC1)c1nn(CCCCCCl)c2c1CCCc1cc(Cl)ccc1-2.O=C(NN1CCCCC1)c1nn(CCCCCCl)c2c1CCc1cc(Cl)ccc1-2
• InChI: InChI=1S/C24H33ClN4O.C23H30BrClN4O.C23H30Cl2N4O.C22H28Cl2N4O/c1-18-11-12-20-19(17-18)9-8-10-21-22(24(30)27-28-14-5-3-6-15-28)26-29(23(20)21)16-7-2-4-13-25;24-18-10-11-19-17(16-18)8-7-9-20-21(23(30)27-28-13-4-2-5-14-28)26-29(22(19)20)15-6-1-3-12-25;24-12-3-1-6-15-29-22-19-11-10-18(25)16-17(19)8-7-9-20(22)21(26-29)23(30)27-28-13-4-2-5-14-28;23-11-3-1-6-14-28-21-18-10-8-17(24)15-16(18)7-9-19(21)20(25-28)22(29)26-27-12-4-2-5-13-27/h11-12,17H,2-10,13-16H2,1H3,(H,27,30);2*10-11,16H,1-9,12-15H2,(H,27,30);8,10,15H,1-7,9,11-14H2,(H,26,29)
• InChIKey: IGEKLIWVOJYRHZ-UHFFFAOYSA-N
• XLogP: 20.30
• TPSA: 200.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1807.71
LogP ≤ 5	20.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide?

The IUPAC name of 12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide (CID 158689653) is 12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide.

What is the SMILES notation for 12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide?

The canonical SMILES for 12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide is Cc1ccc2c(c1)CCCc1c(C(=O)NN3CCCCC3)nn(CCCCCCl)c1-2.O=C(NN1CCCCC1)c1nn(CCCCCCl)c2c1CCCc1cc(Br)ccc1-2.O=C(NN1CCCCC1)c1nn(CCCCCCl)c2c1CCCc1cc(Cl)ccc1-2.O=C(NN1CCCCC1)c1nn(CCCCCCl)c2c1CCc1cc(Cl)ccc1-2.

What is the InChIKey of 12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide?

The InChIKey is IGEKLIWVOJYRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O.C23H30BrClN4O.C23H30Cl2N4O.C22H28Cl2N4O/c1-18-11-12-20-19(17-18)9-8-10-21-22(24(30)27-28-14-5-3-6-15-28)26-29(23(20)21)16-7-2-4-13-25;24-18-10-11-19-17(16-18)8-7-9-20-21(23(30)27-28-13-4-2-5-14-28)26-29(22(19)20)15-6-1-3-12-25;24-12-3-1-6-15-29-22-19-11-10-18(25)16-17(19)8-7-9-20(22)21(26-29)23(30)27-28-13-4-2-5-14-28;23-11-3-1-6-14-28-21-18-10-8-17(24)15-16(18)7-9-19(21)20(25-28)22(29)26-27-12-4-2-5-13-27/h11-12,17H,2-10,13-16H2,1H3,(H,27,30);2*10-11,16H,1-9,12-15H2,(H,27,30);8,10,15H,1-7,9,11-14H2,(H,26,29).

What are the key properties of 12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide?

12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide has a molecular weight of 1807.71 g/mol, XLogP of 20.30, 28 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 12-bromo-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;12-chloro-3-(5-chloropentyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide;7-chloro-1-(5-chloropentyl)-N-piperidin-1-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-(5-chloropentyl)-12-methyl-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 158689653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).