3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile

C26H28N4O — CID 137436417

IUPAC3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cnc3c(c1)NC(C)(C)C=C3)cn2C1CCC(O)CC1
InChIInChI=1S/C26H28N4O/c1-16-10-25-21(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/h8-12,14-15,19-20,29,31H,4-7H2,1-3H3
InChIKeyGFXVOOASMOSLEG-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.58
Rot. Bonds2

About 3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile

3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile (PubChem CID 137436417) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile.

Molecular Properties

Compound Name3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
PubChem CID137436417
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cnc3c(c1)NC(C)(C)C=C3)cn2C1CCC(O)CC1
InChIInChI=1S/C26H28N4O/c1-16-10-25-21(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/h8-12,14-15,19-20,29,31H,4-7H2,1-3H3
InChIKeyGFXVOOASMOSLEG-UHFFFAOYSA-N
XLogP5.58
TPSA73.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The IUPAC name of 3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile (CID 137436417) is 3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile.
What is the SMILES notation for 3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The canonical SMILES for 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.
What is the InChIKey of 3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The InChIKey is GFXVOOASMOSLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-16-10-25-21(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/h8-12,14-15,19-20,29,31H,4-7H2,1-3H3.
What are the key properties of 3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile has a molecular weight of 412.54 g/mol, XLogP of 5.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6-dimethyl-5H-1,5-naphthyridin-3-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile is sourced from PubChem (CID 137436417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).