3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile

C23H22N4O — CID 137422765

IUPAC3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cc(N)cc(C#N)c1)cn2C1CCC(O)CC1
InChIInChI=1S/C23H22N4O/c1-14-6-23-21(10-17(14)12-25)22(16-7-15(11-24)8-18(26)9-16)13-27(23)19-2-4-20(28)5-3-19/h6-10,13,19-20,28H,2-5,26H2,1H3
InChIKeyIBOCDPIUVYADEQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.42
Rot. Bonds2

About 3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile

3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile (PubChem CID 137422765) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile.

Molecular Properties

Compound Name3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
PubChem CID137422765
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cc(N)cc(C#N)c1)cn2C1CCC(O)CC1
InChIInChI=1S/C23H22N4O/c1-14-6-23-21(10-17(14)12-25)22(16-7-15(11-24)8-18(26)9-16)13-27(23)19-2-4-20(28)5-3-19/h6-10,13,19-20,28H,2-5,26H2,1H3
InChIKeyIBOCDPIUVYADEQ-UHFFFAOYSA-N
XLogP4.42
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The IUPAC name of 3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile (CID 137422765) is 3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile.
What is the SMILES notation for 3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The canonical SMILES for 3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile is Cc1cc2c(cc1C#N)c(-c1cc(N)cc(C#N)c1)cn2C1CCC(O)CC1.
What is the InChIKey of 3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The InChIKey is IBOCDPIUVYADEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-14-6-23-21(10-17(14)12-25)22(16-7-15(11-24)8-18(26)9-16)13-27(23)19-2-4-20(28)5-3-19/h6-10,13,19-20,28H,2-5,26H2,1H3.
What are the key properties of 3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile has a molecular weight of 370.46 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-cyanophenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile is sourced from PubChem (CID 137422765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).