4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine

C17H18N2O2 — CID 71016217

IUPAC4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine
SMILESCCCCOc1ccc(Oc2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C17H18N2O2/c1-2-3-12-20-13-4-6-14(7-5-13)21-16-9-11-19-17-15(16)8-10-18-17/h4-11H,2-3,12H2,1H3,(H,18,19)
InChIKeyIJMGIEXQDREZHA-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.53
Rot. Bonds6

About 4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine

4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71016217) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine
PubChem CID71016217
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine
SMILESCCCCOc1ccc(Oc2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C17H18N2O2/c1-2-3-12-20-13-4-6-14(7-5-13)21-16-9-11-19-17-15(16)8-10-18-17/h4-11H,2-3,12H2,1H3,(H,18,19)
InChIKeyIJMGIEXQDREZHA-UHFFFAOYSA-N
XLogP4.53
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine 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

2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanoic acid
CID 135261196
4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine
CID 141134187
N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
CID 142405243
4-[3-(1,1-difluoropropyl)-4-(2-fluoroethyl)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]butanamide
CID 162552987
3-bromo-4-(4-propoxyphenoxy)pyridine
CID 104778843
5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
CID 127036195
1,4-dipentoxybenzene
CID 18314717
CID 57451037
CID 57451037
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-(propylamino)acetamide
CID 59819825
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine (CID 71016217) is 4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine is CCCCOc1ccc(Oc2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IJMGIEXQDREZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-3-12-20-13-4-6-14(7-5-13)21-16-9-11-19-17-15(16)8-10-18-17/h4-11H,2-3,12H2,1H3,(H,18,19).
What are the key properties of 4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine?
4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 282.34 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71016217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).