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

C132H148N30O6 — CID 157260992

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

2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone;2-hydroxy-1-[6-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone;(2S)-2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl)pyrimido[4,5-b]indol-2-amine (PubChem CID 157260992) has the molecular formula C132H148N30O6 and a molecular weight of 2250.84 g/mol. Its IUPAC name is 2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone;2-hydroxy-1-[6-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone;(2S)-2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl)pyrimido[4,5-b]indol-2-amine.

Molecular Properties

• Compound Name: 2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone;2-hydroxy-1-[6-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone;(2S)-2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl)pyrimido[4,5-b]indol-2-amine
• PubChem CID: 157260992
• Molecular Formula: C132H148N30O6
• Molecular Weight: 2250.84 g/mol
• Exact Mass: 2249.22
• IUPAC Name: 2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone;2-hydroxy-1-[6-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone;(2S)-2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl)pyrimido[4,5-b]indol-2-amine
• SMILES: CC1CCC(n2c3ccccc3c3cnc(Nc4cc5c(cn4)CN(C(=O)CO)CC5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4cc5c(cn4)CNCC5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)[C@H](C)O)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CN(C(=O)CO)CC5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CNCC5)nc32)CC1
• InChI: InChI=1S/C28H32N6O2.2C27H30N6O2.2C25H28N6/c1-17-7-10-20(11-8-17)34-24-6-4-3-5-21(24)22-15-29-28(32-26(22)34)31-25-12-9-19-16-33(27(36)18(2)35)14-13-23(19)30-25;1-17-6-9-19(10-7-17)33-23-5-3-2-4-20(23)21-14-28-27(31-26(21)33)30-24-11-8-18-12-13-32(25(35)16-34)15-22(18)29-24;1-17-6-8-20(9-7-17)33-23-5-3-2-4-21(23)22-14-29-27(31-26(22)33)30-24-12-18-10-11-32(25(35)16-34)15-19(18)13-28-24;1-16-6-9-18(10-7-16)31-22-5-3-2-4-19(22)20-14-27-25(30-24(20)31)29-23-11-8-17-12-13-26-15-21(17)28-23;1-16-6-8-19(9-7-16)31-22-5-3-2-4-20(22)21-15-28-25(30-24(21)31)29-23-12-17-10-11-26-13-18(17)14-27-23/h3-6,9,12,15,17-18,20,35H,7-8,10-11,13-14,16H2,1-2H3,(H,29,30,31,32);2-5,8,11,14,17,19,34H,6-7,9-10,12-13,15-16H2,1H3,(H,28,29,30,31);2-5,12-14,17,20,34H,6-11,15-16H2,1H3,(H,28,29,30,31);2-5,8,11,14,16,18,26H,6-7,9-10,12-13,15H2,1H3,(H,27,28,29,30);2-5,12,14-16,19,26H,6-11,13H2,1H3,(H,27,28,29,30)/t17?,18-,20?;;;;/m0..../s1
• InChIKey: AXLJFZACAPRYAO-QXHUZPMKSA-N
• XLogP: 23.68
• TPSA: 423.83 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2250.84
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

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

The IUPAC name of 2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone;2-hydroxy-1-[6-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone;(2S)-2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl)pyrimido[4,5-b]indol-2-amine (CID 157260992) is 2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone;2-hydroxy-1-[6-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone;(2S)-2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl)pyrimido[4,5-b]indol-2-amine.

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

The canonical SMILES for 2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone;2-hydroxy-1-[6-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone;(2S)-2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl)pyrimido[4,5-b]indol-2-amine is CC1CCC(n2c3ccccc3c3cnc(Nc4cc5c(cn4)CN(C(=O)CO)CC5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4cc5c(cn4)CNCC5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)[C@H](C)O)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CN(C(=O)CO)CC5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)CNCC5)nc32)CC1.

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

The InChIKey is AXLJFZACAPRYAO-QXHUZPMKSA-N. The full InChI is InChI=1S/C28H32N6O2.2C27H30N6O2.2C25H28N6/c1-17-7-10-20(11-8-17)34-24-6-4-3-5-21(24)22-15-29-28(32-26(22)34)31-25-12-9-19-16-33(27(36)18(2)35)14-13-23(19)30-25;1-17-6-9-19(10-7-17)33-23-5-3-2-4-20(23)21-14-28-27(31-26(21)33)30-24-11-8-18-12-13-32(25(35)16-34)15-22(18)29-24;1-17-6-8-20(9-7-17)33-23-5-3-2-4-21(23)22-14-29-27(31-26(22)33)30-24-12-18-10-11-32(25(35)16-34)15-19(18)13-28-24;1-16-6-9-18(10-7-16)31-22-5-3-2-4-19(22)20-14-27-25(30-24(20)31)29-23-11-8-17-12-13-26-15-21(17)28-23;1-16-6-8-19(9-7-16)31-22-5-3-2-4-20(22)21-15-28-25(30-24(21)31)29-23-12-17-10-11-26-13-18(17)14-27-23/h3-6,9,12,15,17-18,20,35H,7-8,10-11,13-14,16H2,1-2H3,(H,29,30,31,32);2-5,8,11,14,17,19,34H,6-7,9-10,12-13,15-16H2,1H3,(H,28,29,30,31);2-5,12-14,17,20,34H,6-11,15-16H2,1H3,(H,28,29,30,31);2-5,8,11,14,16,18,26H,6-7,9-10,12-13,15H2,1H3,(H,27,28,29,30);2-5,12,14-16,19,26H,6-11,13H2,1H3,(H,27,28,29,30)/t17?,18-,20?;;;;/m0..../s1.

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

2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone;2-hydroxy-1-[6-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone;(2S)-2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl)pyrimido[4,5-b]indol-2-amine has a molecular weight of 2250.84 g/mol, XLogP of 23.68, 18 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone;2-hydroxy-1-[6-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone;(2S)-2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl)pyrimido[4,5-b]indol-2-amine is sourced from PubChem (CID 157260992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).