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

C104H120N24O6 — CID 157466006

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

(8S)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8R)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8S)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol (PubChem CID 157466006) has the molecular formula C104H120N24O6 and a molecular weight of 1802.27 g/mol. Its IUPAC name is (8S)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8R)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8S)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol.

Molecular Properties

• Compound Name: (8S)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8R)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8S)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol
• PubChem CID: 157466006
• Molecular Formula: C104H120N24O6
• Molecular Weight: 1802.27 g/mol
• Exact Mass: 1800.98
• IUPAC Name: (8S)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8R)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8S)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol
• SMILES: CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@@H](O)CN(CCO)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@@H](O)CNC5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@H](O)CN(CCO)C5)nc32)CC1.CC1CCC(n2c3ccccc3c3cnc(Nc4ccc5c(n4)[C@H](O)CNC5)nc32)CC1
• InChI: InChI=1S/2C27H32N6O2.2C25H28N6O/c2*1-17-6-9-19(10-7-17)33-22-5-3-2-4-20(22)21-14-28-27(31-26(21)33)30-24-11-8-18-15-32(12-13-34)16-23(35)25(18)29-24;2*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*2-5,8,11,14,17,19,23,34-35H,6-7,9-10,12-13,15-16H2,1H3,(H,28,29,30,31);2*2-5,8,11,13,15,17,21,26,32H,6-7,9-10,12,14H2,1H3,(H,27,28,29,30)/t2*17?,19?,23-;2*15?,17?,21-/m1010/s1
• InChIKey: BUMJDICDHMAPLY-AIRPARLZSA-N
• XLogP: 17.85
• TPSA: 374.44 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1802.27
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of (8S)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8R)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8S)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol (CID 157466006) is (8S)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8R)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8S)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol.

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

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

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

The InChIKey is BUMJDICDHMAPLY-AIRPARLZSA-N. The full InChI is InChI=1S/2C27H32N6O2.2C25H28N6O/c2*1-17-6-9-19(10-7-17)33-22-5-3-2-4-20(22)21-14-28-27(31-26(21)33)30-24-11-8-18-15-32(12-13-34)16-23(35)25(18)29-24;2*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*2-5,8,11,14,17,19,23,34-35H,6-7,9-10,12-13,15-16H2,1H3,(H,28,29,30,31);2*2-5,8,11,13,15,17,21,26,32H,6-7,9-10,12,14H2,1H3,(H,27,28,29,30)/t2*17?,19?,23-;2*15?,17?,21-/m1010/s1.

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

(8S)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8R)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8S)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol has a molecular weight of 1802.27 g/mol, XLogP of 17.85, 16 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8R)-6-(2-hydroxyethyl)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol;(8S)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol;(8R)-2-[[9-(4-methylcyclohexyl)pyrimido[4,5-b]indol-2-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol is sourced from PubChem (CID 157466006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).