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

C133H156N30O3 — CID 158217393

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

9-(4-methylcyclohexyl)-N-[(8S)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[(8R)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;2-[(8S)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;2-[(8R)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol (PubChem CID 158217393) has the molecular formula C133H156N30O3 and a molecular weight of 2222.92 g/mol. Its IUPAC name is 9-(4-methylcyclohexyl)-N-[(8S)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[(8R)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;2-[(8S)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;2-[(8R)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol.

Molecular Properties

• Compound Name: 9-(4-methylcyclohexyl)-N-[(8S)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[(8R)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;2-[(8S)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;2-[(8R)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
• PubChem CID: 158217393
• Molecular Formula: C133H156N30O3
• Molecular Weight: 2222.92 g/mol
• Exact Mass: 2221.30
• IUPAC Name: 9-(4-methylcyclohexyl)-N-[(8S)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[(8R)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;2-[(8S)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;2-[(8R)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
• SMILES: CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@@H](C)CN(CCO)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@@H](C)CNC5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@H](C)CN(CCO)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@H](C)CNC5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@H](O)CNC5)nc32)CC1
• InChI: InChI=1S/2C28H34N6O.2C26H30N6.C25H28N6O/c2*1-18-7-10-21(11-8-18)34-24-6-4-3-5-22(24)23-15-29-28(32-27(23)34)31-25-12-9-20-17-33(13-14-35)16-19(2)26(20)30-25;2*1-16-7-10-19(11-8-16)32-22-6-4-3-5-20(22)21-15-28-26(31-25(21)32)30-23-12-9-18-14-27-13-17(2)24(18)29-23;1-15-6-9-17(10-7-15)31-20-5-3-2-4-18(20)19-13-27-25(30-24(19)31)29-22-11-8-16-12-26-14-21(32)23(16)28-22/h2*3-6,9,12,15,18-19,21,35H,7-8,10-11,13-14,16-17H2,1-2H3,(H,29,30,31,32);2*3-6,9,12,15-17,19,27H,7-8,10-11,13-14H2,1-2H3,(H,28,29,30,31);2-5,8,11,13,15,17,21,26,32H,6-7,9-10,12,14H2,1H3,(H,27,28,29,30)/t2*18?,19-,21?;2*16?,17-,19?;15?,17?,21-/m10101/s1
• InChIKey: GCVCWRZWYHFCRI-ZKHBUYGLSA-N
• XLogP: 26.74
• TPSA: 381.41 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2222.92
LogP ≤ 5	26.74
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

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

The IUPAC name of 9-(4-methylcyclohexyl)-N-[(8S)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[(8R)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;2-[(8S)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;2-[(8R)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol (CID 158217393) is 9-(4-methylcyclohexyl)-N-[(8S)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[(8R)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;2-[(8S)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;2-[(8R)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol.

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

The canonical SMILES for 9-(4-methylcyclohexyl)-N-[(8S)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[(8R)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;2-[(8S)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;2-[(8R)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol is CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@@H](C)CN(CCO)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@@H](C)CNC5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@H](C)CN(CCO)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@H](C)CNC5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@H](O)CNC5)nc32)CC1.

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

The InChIKey is GCVCWRZWYHFCRI-ZKHBUYGLSA-N. The full InChI is InChI=1S/2C28H34N6O.2C26H30N6.C25H28N6O/c2*1-18-7-10-21(11-8-18)34-24-6-4-3-5-22(24)23-15-29-28(32-27(23)34)31-25-12-9-20-17-33(13-14-35)16-19(2)26(20)30-25;2*1-16-7-10-19(11-8-16)32-22-6-4-3-5-20(22)21-15-28-26(31-25(21)32)30-23-12-9-18-14-27-13-17(2)24(18)29-23;1-15-6-9-17(10-7-15)31-20-5-3-2-4-18(20)19-13-27-25(30-24(19)31)29-22-11-8-16-12-26-14-21(32)23(16)28-22/h2*3-6,9,12,15,18-19,21,35H,7-8,10-11,13-14,16-17H2,1-2H3,(H,29,30,31,32);2*3-6,9,12,15-17,19,27H,7-8,10-11,13-14H2,1-2H3,(H,28,29,30,31);2-5,8,11,13,15,17,21,26,32H,6-7,9-10,12,14H2,1H3,(H,27,28,29,30)/t2*18?,19-,21?;2*16?,17-,19?;15?,17?,21-/m10101/s1.

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

9-(4-methylcyclohexyl)-N-[(8S)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[(8R)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;2-[(8S)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;2-[(8R)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol has a molecular weight of 2222.92 g/mol, XLogP of 26.74, 19 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methylcyclohexyl)-N-[(8S)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;9-(4-methylcyclohexyl)-N-[(8R)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]pyrimido[4,5-b]indol-2-amine;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;2-[(8S)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol;2-[(8R)-8-methyl-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol is sourced from PubChem (CID 158217393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).