8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one

C132H131N31O11 — CID 159121207

About 8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one

8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one (PubChem CID 159121207) has the molecular formula C132H131N31O11 and a molecular weight of 2327.71 g/mol. Its IUPAC name is 8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one.

Molecular Properties

• Compound Name: 8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
• PubChem CID: 159121207
• Molecular Formula: C132H131N31O11
• Molecular Weight: 2327.71 g/mol
• Exact Mass: 2326.06
• IUPAC Name: 8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
• SMILES: Cc1ccc2ncc(-c3cnn4c5c(c(C(C)NC(=O)C(C)(CO)CO)nc34)C(=O)CCN5)cc2c1.Cc1ccc2ncc(-c3cnn4c5c(c(C(C)NC6CCOCC6)nc34)C(=O)CCN5)cc2c1.O=C1CCNc2c1c(C1CC3COCC(C1)N3C(=O)c1ncn[nH]1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn21.O=C1CCNc2c1c(C1CCCCC1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn21.O=C1CCNc2c1c(C1CCCCC1)nc1c(-c3cnc4ccccc4c3)cnn21
• InChI: InChI=1S/C30H27N9O3.C26H28N6O4.C26H28N6O2.C26H25N5O.C24H23N5O/c40-24-8-9-31-29-25(24)26(19-10-20-14-42-15-21(11-19)38(20)30(41)27-33-16-34-37-27)36-28-22(13-35-39(28)29)18-6-7-23(32-12-18)17-4-2-1-3-5-17;1-14-4-5-19-16(8-14)9-17(10-28-19)18-11-29-32-23(18)31-22(21-20(35)6-7-27-24(21)32)15(2)30-25(36)26(3,12-33)13-34;1-15-3-4-21-17(11-15)12-18(13-28-21)20-14-29-32-25(20)31-24(23-22(33)5-8-27-26(23)32)16(2)30-19-6-9-34-10-7-19;32-22-13-14-27-26-23(22)24(18-9-5-2-6-10-18)30-25-20(16-29-31(25)26)19-11-12-21(28-15-19)17-7-3-1-4-8-17;30-20-10-11-25-24-21(20)22(15-6-2-1-3-7-15)28-23-18(14-27-29(23)24)17-12-16-8-4-5-9-19(16)26-13-17/h1-7,12-13,16,19-21,31H,8-11,14-15H2,(H,33,34,37);4-5,8-11,15,27,33-34H,6-7,12-13H2,1-3H3,(H,30,36);3-4,11-14,16,19,27,30H,5-10H2,1-2H3;1,3-4,7-8,11-12,15-16,18,27H,2,5-6,9-10,13-14H2;4-5,8-9,12-15,25H,1-3,6-7,10-11H2
• InChIKey: KFSGYSUPJHKKQJ-UHFFFAOYSA-N
• XLogP: 20.36
• TPSA: 522.83 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 19
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2327.71
LogP ≤ 5	20.36
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?

The IUPAC name of 8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one (CID 159121207) is 8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one.

What is the SMILES notation for 8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?

The canonical SMILES for 8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one is Cc1ccc2ncc(-c3cnn4c5c(c(C(C)NC(=O)C(C)(CO)CO)nc34)C(=O)CCN5)cc2c1.Cc1ccc2ncc(-c3cnn4c5c(c(C(C)NC6CCOCC6)nc34)C(=O)CCN5)cc2c1.O=C1CCNc2c1c(C1CC3COCC(C1)N3C(=O)c1ncn[nH]1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn21.O=C1CCNc2c1c(C1CCCCC1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn21.O=C1CCNc2c1c(C1CCCCC1)nc1c(-c3cnc4ccccc4c3)cnn21.

What is the InChIKey of 8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?

The InChIKey is KFSGYSUPJHKKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N9O3.C26H28N6O4.C26H28N6O2.C26H25N5O.C24H23N5O/c40-24-8-9-31-29-25(24)26(19-10-20-14-42-15-21(11-19)38(20)30(41)27-33-16-34-37-27)36-28-22(13-35-39(28)29)18-6-7-23(32-12-18)17-4-2-1-3-5-17;1-14-4-5-19-16(8-14)9-17(10-28-19)18-11-29-32-23(18)31-22(21-20(35)6-7-27-24(21)32)15(2)30-25(36)26(3,12-33)13-34;1-15-3-4-21-17(11-15)12-18(13-28-21)20-14-29-32-25(20)31-24(23-22(33)5-8-27-26(23)32)16(2)30-19-6-9-34-10-7-19;32-22-13-14-27-26-23(22)24(18-9-5-2-6-10-18)30-25-20(16-29-31(25)26)19-11-12-21(28-15-19)17-7-3-1-4-8-17;30-20-10-11-25-24-21(20)22(15-6-2-1-3-7-15)28-23-18(14-27-29(23)24)17-12-16-8-4-5-9-19(16)26-13-17/h1-7,12-13,16,19-21,31H,8-11,14-15H2,(H,33,34,37);4-5,8-11,15,27,33-34H,6-7,12-13H2,1-3H3,(H,30,36);3-4,11-14,16,19,27,30H,5-10H2,1-2H3;1,3-4,7-8,11-12,15-16,18,27H,2,5-6,9-10,13-14H2;4-5,8-9,12-15,25H,1-3,6-7,10-11H2.

What are the key properties of 8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?

8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one has a molecular weight of 2327.71 g/mol, XLogP of 20.36, 19 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclohexyl-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-cyclohexyl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[1-[5-(6-methylquinolin-3-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]ethyl]propanamide;5-(6-methylquinolin-3-yl)-8-[1-(oxan-4-ylamino)ethyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-[9-(1H-1,2,4-triazole-5-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one is sourced from PubChem (CID 159121207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).