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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine

C27H36N10 — CID 58300201

About 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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine

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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 58300201) has the molecular formula C27H36N10 and a molecular weight of 500.66 g/mol. Its IUPAC name is 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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: 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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 58300201
• Molecular Formula: C27H36N10
• Molecular Weight: 500.66 g/mol
• Exact Mass: 500.31
• IUPAC Name: 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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
• SMILES: CN(C)CCNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1
• InChI: InChI=1S/C27H36N10/c1-35(2)16-13-29-19-10-14-36(15-11-19)25-8-7-24(33-34-25)31-27-30-17-22-21-9-12-28-18-23(21)37(26(22)32-27)20-5-3-4-6-20/h7-9,12,17-20,29H,3-6,10-11,13-16H2,1-2H3,(H,30,31,32,33)
• InChIKey: DPIODVZRGWTHFY-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 99.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.66
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of 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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 58300201) is 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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for 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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for 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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1.

What is the InChIKey of 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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is DPIODVZRGWTHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N10/c1-35(2)16-13-29-19-10-14-36(15-11-19)25-8-7-24(33-34-25)31-27-30-17-22-21-9-12-28-18-23(21)37(26(22)32-27)20-5-3-4-6-20/h7-9,12,17-20,29H,3-6,10-11,13-16H2,1-2H3,(H,30,31,32,33).

What are the key properties of 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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?

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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 500.66 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 58300201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).