4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole

C17H18N2O — CID 83173873

IUPAC4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole
SMILESCC(C)Oc1cccc2c1ccn2Cc1ccncc1
InChIInChI=1S/C17H18N2O/c1-13(2)20-17-5-3-4-16-15(17)8-11-19(16)12-14-6-9-18-10-7-14/h3-11,13H,12H2,1-2H3
InChIKeyHQOXDCCPHLRIMU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.87
Rot. Bonds4

About 4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole

4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole (PubChem CID 83173873) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole.

Molecular Properties

Compound Name4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole
PubChem CID83173873
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole
SMILESCC(C)Oc1cccc2c1ccn2Cc1ccncc1
InChIInChI=1S/C17H18N2O/c1-13(2)20-17-5-3-4-16-15(17)8-11-19(16)12-14-6-9-18-10-7-14/h3-11,13H,12H2,1-2H3
InChIKeyHQOXDCCPHLRIMU-UHFFFAOYSA-N
XLogP3.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole with MolForge

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

Launch Full Analysis

Related Compounds

4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole
CID 83174058
1-(furan-3-ylmethyl)-4-propan-2-yloxyindole
CID 83182716
1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole
CID 83165323
1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole
CID 83165469
5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole
CID 83163053
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
CID 83174239
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole
CID 83165463
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
CID 106458016
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83164753

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole?
The IUPAC name of 4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole (CID 83173873) is 4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole.
What is the SMILES notation for 4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole?
The canonical SMILES for 4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole is CC(C)Oc1cccc2c1ccn2Cc1ccncc1.
What is the InChIKey of 4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole?
The InChIKey is HQOXDCCPHLRIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(2)20-17-5-3-4-16-15(17)8-11-19(16)12-14-6-9-18-10-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole?
4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole has a molecular weight of 266.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole is sourced from PubChem (CID 83173873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).