3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile

C24H25N3O — CID 137367853

IUPAC3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cccc3c1CCN3)cn2C1CCC(O)CC1
InChIInChI=1S/C24H25N3O/c1-15-11-24-21(12-16(15)13-25)22(14-27(24)17-5-7-18(28)8-6-17)19-3-2-4-23-20(19)9-10-26-23/h2-4,11-12,14,17-18,26,28H,5-10H2,1H3
InChIKeyWADJCIDZJSXEGR-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.93
Rot. Bonds2

About 3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile

3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile (PubChem CID 137367853) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
PubChem CID137367853
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cccc3c1CCN3)cn2C1CCC(O)CC1
InChIInChI=1S/C24H25N3O/c1-15-11-24-21(12-16(15)13-25)22(14-27(24)17-5-7-18(28)8-6-17)19-3-2-4-23-20(19)9-10-26-23/h2-4,11-12,14,17-18,26,28H,5-10H2,1H3
InChIKeyWADJCIDZJSXEGR-UHFFFAOYSA-N
XLogP4.93
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The IUPAC name of 3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile (CID 137367853) is 3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile is Cc1cc2c(cc1C#N)c(-c1cccc3c1CCN3)cn2C1CCC(O)CC1.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The InChIKey is WADJCIDZJSXEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-15-11-24-21(12-16(15)13-25)22(14-27(24)17-5-7-18(28)8-6-17)19-3-2-4-23-20(19)9-10-26-23/h2-4,11-12,14,17-18,26,28H,5-10H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile has a molecular weight of 371.48 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile is sourced from PubChem (CID 137367853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).