2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine

C107H124N24O3 — CID 158739251

About 2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine

2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine (PubChem CID 158739251) has the molecular formula C107H124N24O3 and a molecular weight of 1794.33 g/mol. Its IUPAC name is 2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine.

Molecular Properties

• Compound Name: 2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine
• PubChem CID: 158739251
• Molecular Formula: C107H124N24O3
• Molecular Weight: 1794.33 g/mol
• Exact Mass: 1793.03
• IUPAC Name: 2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine
• SMILES: CC(=O)N1CCc2nc(Nc3ncc4c5ccccc5n(C5CCC(C)CC5)c4n3)ccc2C1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(CCCO)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(CCO)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCNC5)nc32)CC1
• InChI: InChI=1S/C28H34N6O.C27H30N6O.C27H32N6O.C25H28N6/c1-19-7-10-21(11-8-19)34-25-6-3-2-5-22(25)23-17-29-28(32-27(23)34)31-26-12-9-20-18-33(14-4-16-35)15-13-24(20)30-26;1-17-7-10-20(11-8-17)33-24-6-4-3-5-21(24)22-15-28-27(31-26(22)33)30-25-12-9-19-16-32(18(2)34)14-13-23(19)29-25;1-18-6-9-20(10-7-18)33-24-5-3-2-4-21(24)22-16-28-27(31-26(22)33)30-25-11-8-19-17-32(14-15-34)13-12-23(19)29-25;1-16-6-9-18(10-7-16)31-22-5-3-2-4-19(22)20-15-27-25(30-24(20)31)29-23-11-8-17-14-26-13-12-21(17)28-23/h2-3,5-6,9,12,17,19,21,35H,4,7-8,10-11,13-16,18H2,1H3,(H,29,30,31,32);3-6,9,12,15,17,20H,7-8,10-11,13-14,16H2,1-2H3,(H,28,29,30,31);2-5,8,11,16,18,20,34H,6-7,9-10,12-15,17H2,1H3,(H,28,29,30,31);2-5,8,11,15-16,18,26H,6-7,9-10,12-14H2,1H3,(H,27,28,29,30)
• InChIKey: IMBQAKOSNZKSOI-UHFFFAOYSA-N
• XLogP: 20.54
• TPSA: 301.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1794.33
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine?

The IUPAC name of 2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine (CID 158739251) is 2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine.

What is the SMILES notation for 2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine?

The canonical SMILES for 2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine is CC(=O)N1CCc2nc(Nc3ncc4c5ccccc5n(C5CCC(C)CC5)c4n3)ccc2C1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(CCCO)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(CCO)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCNC5)nc32)CC1.

What is the InChIKey of 2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine?

The InChIKey is IMBQAKOSNZKSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O.C27H30N6O.C27H32N6O.C25H28N6/c1-19-7-10-21(11-8-19)34-25-6-3-2-5-22(25)23-17-29-28(32-27(23)34)31-26-12-9-20-18-33(14-4-16-35)15-13-24(20)30-26;1-17-7-10-20(11-8-17)33-24-6-4-3-5-21(24)22-15-28-27(31-26(22)33)30-25-12-9-19-16-32(18(2)34)14-13-23(19)29-25;1-18-6-9-20(10-7-18)33-24-5-3-2-4-21(24)22-16-28-27(31-26(22)33)30-25-11-8-19-17-32(14-15-34)13-12-23(19)29-25;1-16-6-9-18(10-7-16)31-22-5-3-2-4-19(22)20-15-27-25(30-24(20)31)29-23-11-8-17-14-26-13-12-21(17)28-23/h2-3,5-6,9,12,17,19,21,35H,4,7-8,10-11,13-16,18H2,1H3,(H,29,30,31,32);3-6,9,12,15,17,20H,7-8,10-11,13-14,16H2,1-2H3,(H,28,29,30,31);2-5,8,11,16,18,20,34H,6-7,9-10,12-15,17H2,1H3,(H,28,29,30,31);2-5,8,11,15-16,18,26H,6-7,9-10,12-14H2,1H3,(H,27,28,29,30).

What are the key properties of 2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine?

2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine has a molecular weight of 1794.33 g/mol, XLogP of 20.54, 17 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone;3-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-ol;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine is sourced from PubChem (CID 158739251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).