1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine

C24H26N4O — CID 59765123

IUPAC1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESNCCCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21
InChIInChI=1S/C24H26N4O/c25-12-4-5-14-28-16-21(23-22(28)11-13-27-24(23)26)19-9-6-10-20(15-19)29-17-18-7-2-1-3-8-18/h1-3,6-11,13,15-16H,4-5,12,14,17,25H2,(H2,26,27)
InChIKeyMBWFQZNGCKTVCD-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.60
Rot. Bonds8

About 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine

1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 59765123) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
PubChem CID59765123
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESNCCCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21
InChIInChI=1S/C24H26N4O/c25-12-4-5-14-28-16-21(23-22(28)11-13-27-24(23)26)19-9-6-10-20(15-19)29-17-18-7-2-1-3-8-18/h1-3,6-11,13,15-16H,4-5,12,14,17,25H2,(H2,26,27)
InChIKeyMBWFQZNGCKTVCD-UHFFFAOYSA-N
XLogP4.60
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine (CID 59765123) is 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine is NCCCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21.
What is the InChIKey of 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is MBWFQZNGCKTVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c25-12-4-5-14-28-16-21(23-22(28)11-13-27-24(23)26)19-9-6-10-20(15-19)29-17-18-7-2-1-3-8-18/h1-3,6-11,13,15-16H,4-5,12,14,17,25H2,(H2,26,27).
What are the key properties of 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine?
1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 386.50 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-3-(3-phenylmethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 59765123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).