bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile)

C104H116N16O4 — CID 159984358

About bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile)

bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile) (PubChem CID 159984358) has the molecular formula C104H116N16O4 and a molecular weight of 1654.18 g/mol. Its IUPAC name is bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile).

Molecular Properties

• Compound Name: bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile)
• PubChem CID: 159984358
• Molecular Formula: C104H116N16O4
• Molecular Weight: 1654.18 g/mol
• Exact Mass: 1652.94
• IUPAC Name: bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile)
• SMILES: Cc1cc2c(cc1C#N)c(-c1cnc3c(c1)NC(C)(C)C=C3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cnc3c(c1)NC(C)(C)C=C3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cnc3c(c1)NC(C)(C)CC3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cnc3c(c1)NC(C)(C)CC3)cn2C1CCC(O)CC1
• InChI: InChI=1S/2C26H30N4O.2C26H28N4O/c4*1-16-10-25-21(11-17(16)13-27)22(15-30(25)19-4-6-20(31)7-5-19)18-12-24-23(28-14-18)8-9-26(2,3)29-24/h2*10-12,14-15,19-20,29,31H,4-9H2,1-3H3;2*8-12,14-15,19-20,29,31H,4-7H2,1-3H3
• InChIKey: OGDJNFIPAVWROJ-UHFFFAOYSA-N
• XLogP: 22.15
• TPSA: 295.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1654.18
LogP ≤ 5	22.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile)?

The IUPAC name of bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile) (CID 159984358) is bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile).

What is the SMILES notation for bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile)?

The canonical SMILES for bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile) is Cc1cc2c(cc1C#N)c(-c1cnc3c(c1)NC(C)(C)C=C3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cnc3c(c1)NC(C)(C)C=C3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cnc3c(c1)NC(C)(C)CC3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cnc3c(c1)NC(C)(C)CC3)cn2C1CCC(O)CC1.

What is the InChIKey of bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile)?

The InChIKey is OGDJNFIPAVWROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H30N4O.2C26H28N4O/c4*1-16-10-25-21(11-17(16)13-27)22(15-30(25)19-4-6-20(31)7-5-19)18-12-24-23(28-14-18)8-9-26(2,3)29-24/h2*10-12,14-15,19-20,29,31H,4-9H2,1-3H3;2*8-12,14-15,19-20,29,31H,4-7H2,1-3H3.

What are the key properties of bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile)?

bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile) has a molecular weight of 1654.18 g/mol, XLogP of 22.15, 8 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);bis(3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile) is sourced from PubChem (CID 159984358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).