3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile

C52H58N8O2 — CID 158090438

IUPAC3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cncc3c1C=CC(C)(C)N3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cncc3c1CCC(C)(C)N3)cn2C1CCC(O)CC1
InChIInChI=1S/C26H30N4O.C26H28N4O/c2*1-16-10-25-21(11-17(16)12-27)23(15-30(25)18-4-6-19(31)7-5-18)22-13-28-14-24-20(22)8-9-26(2,3)29-24/h10-11,13-15,18-19,29,31H,4-9H2,1-3H3;8-11,13-15,18-19,29,31H,4-7H2,1-3H3
InChIKeyFOAOICGDSXFUNX-UHFFFAOYSA-N
MW827.09 g/mol
LogP11.07
Rot. Bonds4

About 3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile

3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile (PubChem CID 158090438) has the molecular formula C52H58N8O2 and a molecular weight of 827.09 g/mol. Its IUPAC name is 3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile.

Molecular Properties

Compound Name3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
PubChem CID158090438
Molecular FormulaC52H58N8O2
Molecular Weight827.09 g/mol
Exact Mass826.47
IUPAC Name3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cncc3c1C=CC(C)(C)N3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cncc3c1CCC(C)(C)N3)cn2C1CCC(O)CC1
InChIInChI=1S/C26H30N4O.C26H28N4O/c2*1-16-10-25-21(11-17(16)12-27)23(15-30(25)18-4-6-19(31)7-5-18)22-13-28-14-24-20(22)8-9-26(2,3)29-24/h10-11,13-15,18-19,29,31H,4-9H2,1-3H3;8-11,13-15,18-19,29,31H,4-7H2,1-3H3
InChIKeyFOAOICGDSXFUNX-UHFFFAOYSA-N
XLogP11.07
TPSA147.74 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.09
LogP ≤ 511.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile with MolForge

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Related Compounds

3-(3-Amino-2-methylphenyl)-1-(trans-4-hydroxycyclohexyl)-6-methyl-1H-indole-5-carbonitrile
CID 130201615
3-(5-Amino-4-fluoro-3-pyridinyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
CID 137367750
3-[5-Amino-4-(difluoromethyl)pyridin-3-yl]-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
CID 137367914
3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
CID 137367833
1-(4-Hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile
CID 137367748
3-(5-Amino-4-chloro-3-pyridinyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
CID 137367848
3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
CID 137367853
3-(2,2-dimethyl-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
CID 137367896
3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
CID 137367898
3-(2,2-dimethyl-1,2,3,4-tetrahydroquinolin-5-yl)-1-((1r,4r)-4-hydroxycyclohexyl)-6-methyl-1H-indole-5-carbonitrile
CID 137367951
1-(4-Hydroxycyclohexyl)-6-methyl-3-[2-methyl-3-(propan-2-ylamino)phenyl]indole-5-carbonitrile
CID 137367967
1-(3,4-dihydroxybutyl)-3-(2,2-dimethyl-3,4-dihydro-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile
CID 137422745

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The IUPAC name of 3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile (CID 158090438) is 3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile.
What is the SMILES notation for 3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The canonical SMILES for 3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile is Cc1cc2c(cc1C#N)c(-c1cncc3c1C=CC(C)(C)N3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cncc3c1CCC(C)(C)N3)cn2C1CCC(O)CC1.
What is the InChIKey of 3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The InChIKey is FOAOICGDSXFUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O.C26H28N4O/c2*1-16-10-25-21(11-17(16)12-27)23(15-30(25)18-4-6-19(31)7-5-18)22-13-28-14-24-20(22)8-9-26(2,3)29-24/h10-11,13-15,18-19,29,31H,4-9H2,1-3H3;8-11,13-15,18-19,29,31H,4-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile has a molecular weight of 827.09 g/mol, XLogP of 11.07, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-3,4-dihydro-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,2-dimethyl-1H-1,7-naphthyridin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile is sourced from PubChem (CID 158090438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).