2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine

C23H23N3O — CID 71729393

IUPAC2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1ccccc1-c1cc2c(Nc3ccc(C(C)C)cc3)nccc2[nH]1
InChIInChI=1S/C23H23N3O/c1-15(2)16-8-10-17(11-9-16)25-23-19-14-21(26-20(19)12-13-24-23)18-6-4-5-7-22(18)27-3/h4-15,26H,1-3H3,(H,24,25)
InChIKeyYKEGEFRQXXKDTP-UHFFFAOYSA-N
MW357.46 g/mol
LogP6.11
Rot. Bonds5

About 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine

2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 71729393) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
PubChem CID71729393
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1ccccc1-c1cc2c(Nc3ccc(C(C)C)cc3)nccc2[nH]1
InChIInChI=1S/C23H23N3O/c1-15(2)16-8-10-17(11-9-16)25-23-19-14-21(26-20(19)12-13-24-23)18-6-4-5-7-22(18)27-3/h4-15,26H,1-3H3,(H,24,25)
InChIKeyYKEGEFRQXXKDTP-UHFFFAOYSA-N
XLogP6.11
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-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 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (CID 71729393) is 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is COc1ccccc1-c1cc2c(Nc3ccc(C(C)C)cc3)nccc2[nH]1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is YKEGEFRQXXKDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-15(2)16-8-10-17(11-9-16)25-23-19-14-21(26-20(19)12-13-24-23)18-6-4-5-7-22(18)27-3/h4-15,26H,1-3H3,(H,24,25).
What are the key properties of 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 71729393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).