1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C101H114N26O4 — CID 158931518

About 1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 158931518) has the molecular formula C101H114N26O4 and a molecular weight of 1756.20 g/mol. Its IUPAC name is 1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-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: 1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
• PubChem CID: 158931518
• Molecular Formula: C101H114N26O4
• Molecular Weight: 1756.20 g/mol
• Exact Mass: 1754.95
• IUPAC Name: 1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
• SMILES: C.Cc1cc2c3cnc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)nc3n(C3CCC(C)CC3)c2cn1.Cc1cc2c3cnc(Nc4ccc5c(n4)CCNC5)nc3n(C3CCC(C)CC3)c2cn1.O=C(CO)N1CCc2nc(Nc3ncc4c5ccccc5n(C5CCCC5)c4n3)ccc2C1.c1ccc2c(c1)c1cnc(Nc3ccc4c(n3)CCNC4)nc1n2C1CCCC1
• InChI: InChI=1S/C27H31N7O2.C25H29N7.C25H26N6O2.C23H24N6.CH4/c1-16-3-6-19(7-4-16)34-23-13-28-17(2)11-20(23)21-12-29-27(32-26(21)34)31-24-8-5-18-14-33(25(36)15-35)10-9-22(18)30-24;1-15-3-6-18(7-4-15)32-22-14-27-16(2)11-19(22)20-13-28-25(31-24(20)32)30-23-8-5-17-12-26-10-9-21(17)29-23;32-15-23(33)30-12-11-20-16(14-30)9-10-22(27-20)28-25-26-13-19-18-7-3-4-8-21(18)31(24(19)29-25)17-5-1-2-6-17;1-2-6-16(5-1)29-20-8-4-3-7-17(20)18-14-25-23(28-22(18)29)27-21-10-9-15-13-24-12-11-19(15)26-21;/h5,8,11-13,16,19,35H,3-4,6-7,9-10,14-15H2,1-2H3,(H,29,30,31,32);5,8,11,13-15,18,26H,3-4,6-7,9-10,12H2,1-2H3,(H,28,29,30,31);3-4,7-10,13,17,32H,1-2,5-6,11-12,14-15H2,(H,26,27,28,29);3-4,7-10,14,16,24H,1-2,5-6,11-13H2,(H,25,26,27,28);1H4
• InChIKey: JJCUOHUUQKNGAI-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 353.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1756.20
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-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 1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 158931518) is 1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-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 1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-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 1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is C.Cc1cc2c3cnc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)nc3n(C3CCC(C)CC3)c2cn1.Cc1cc2c3cnc(Nc4ccc5c(n4)CCNC5)nc3n(C3CCC(C)CC3)c2cn1.O=C(CO)N1CCc2nc(Nc3ncc4c5ccccc5n(C5CCCC5)c4n3)ccc2C1.c1ccc2c(c1)c1cnc(Nc3ccc4c(n3)CCNC4)nc1n2C1CCCC1.

What is the InChIKey of 1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

The InChIKey is JJCUOHUUQKNGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2.C25H29N7.C25H26N6O2.C23H24N6.CH4/c1-16-3-6-19(7-4-16)34-23-13-28-17(2)11-20(23)21-12-29-27(32-26(21)34)31-24-8-5-18-14-33(25(36)15-35)10-9-22(18)30-24;1-15-3-6-18(7-4-15)32-22-14-27-16(2)11-19(22)20-13-28-25(31-24(20)32)30-23-8-5-17-12-26-10-9-21(17)29-23;32-15-23(33)30-12-11-20-16(14-30)9-10-22(27-20)28-25-26-13-19-18-7-3-4-8-21(18)31(24(19)29-25)17-5-1-2-6-17;1-2-6-16(5-1)29-20-8-4-3-7-17(20)18-14-25-23(28-22(18)29)27-21-10-9-15-13-24-12-11-19(15)26-21;/h5,8,11-13,16,19,35H,3-4,6-7,9-10,14-15H2,1-2H3,(H,29,30,31,32);5,8,11,13-15,18,26H,3-4,6-7,9-10,12H2,1-2H3,(H,28,29,30,31);3-4,7-10,13,17,32H,1-2,5-6,11-12,14-15H2,(H,26,27,28,29);3-4,7-10,14,16,24H,1-2,5-6,11-13H2,(H,25,26,27,28);1H4.

What are the key properties of 1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-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 1756.20 g/mol, XLogP of 17.71, 14 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(9-cyclopentylpyrimido[4,5-b]indol-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;9-cyclopentyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;2-hydroxy-1-[2-[[12-methyl-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;methane;12-methyl-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-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 158931518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).