1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

C88H103N15O — CID 158966378

About 1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 158966378) has the molecular formula C88H103N15O and a molecular weight of 1386.90 g/mol. Its IUPAC name is 1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

• Compound Name: 1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
• PubChem CID: 158966378
• Molecular Formula: C88H103N15O
• Molecular Weight: 1386.90 g/mol
• Exact Mass: 1385.85
• IUPAC Name: 1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
• SMILES: Cc1ccc(C(C)(O)Cn2c3c(c4ccccc42)CN(C)C2CCCC32)cn1.Cc1ccc(CCn2c3c(c4cccnc42)C2CCCN2CC3)cn1.Cc1ccc(CCn2c3c(c4cccnc42)CN2CCCC2C3)cn1.Cc1cnc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN2CCCC12
• InChI: InChI=1S/C24H29N3O.C22H26N4.2C21H24N4/c1-16-11-12-17(13-25-16)24(2,28)15-27-22-9-5-4-7-18(22)20-14-26(3)21-10-6-8-19(21)23(20)27;1-15-12-18-21-19-4-3-9-25(19)10-8-20(21)26(22(18)24-13-15)11-7-17-6-5-16(2)23-14-17;1-15-6-7-16(13-23-15)8-11-25-20-12-17-4-3-10-24(17)14-19(20)18-5-2-9-22-21(18)25;1-15-6-7-16(14-23-15)8-13-25-19-9-12-24-11-3-5-18(24)20(19)17-4-2-10-22-21(17)25/h4-5,7,9,11-13,19,21,28H,6,8,10,14-15H2,1-3H3;5-6,12-14,19H,3-4,7-11H2,1-2H3;2,5-7,9,13,17H,3-4,8,10-12,14H2,1H3;2,4,6-7,10,14,18H,3,5,8-9,11-13H2,1H3
• InChIKey: JNGHYMCVZOQIAE-UHFFFAOYSA-N
• XLogP: 15.50
• TPSA: 143.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1386.90
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

The IUPAC name of 1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 158966378) is 1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

What is the SMILES notation for 1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

The canonical SMILES for 1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is Cc1ccc(C(C)(O)Cn2c3c(c4ccccc42)CN(C)C2CCCC32)cn1.Cc1ccc(CCn2c3c(c4cccnc42)C2CCCN2CC3)cn1.Cc1ccc(CCn2c3c(c4cccnc42)CN2CCCC2C3)cn1.Cc1cnc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN2CCCC12.

What is the InChIKey of 1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

The InChIKey is JNGHYMCVZOQIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O.C22H26N4.2C21H24N4/c1-16-11-12-17(13-25-16)24(2,28)15-27-22-9-5-4-7-18(22)20-14-26(3)21-10-6-8-19(21)23(20)27;1-15-12-18-21-19-4-3-9-25(19)10-8-20(21)26(22(18)24-13-15)11-7-17-6-5-16(2)23-14-17;1-15-6-7-16(13-23-15)8-11-25-20-12-17-4-3-10-24(17)14-19(20)18-5-2-9-22-21(18)25;1-15-6-7-16(14-23-15)8-13-25-19-9-12-24-11-3-5-18(24)20(19)17-4-2-10-22-21(17)25/h4-5,7,9,11-13,19,21,28H,6,8,10,14-15H2,1-3H3;5-6,12-14,19H,3-4,7-11H2,1-2H3;2,5-7,9,13,17H,3-4,8,10-12,14H2,1H3;2,4,6-7,10,14,18H,3,5,8-9,11-13H2,1H3.

What are the key properties of 1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene has a molecular weight of 1386.90 g/mol, XLogP of 15.50, 12 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-methyl-7,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-16-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;14-methyl-10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;8-[2-(6-methyl-3-pyridinyl)ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene;10-[2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is sourced from PubChem (CID 158966378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).