2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine

C21H21N3O2 — CID 87959274

IUPAC2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
SMILESc1cc(-c2cc3c([nH]2)CCNC3)cc(-c2ccc(OCC3CO3)cc2)n1
InChIInChI=1S/C21H21N3O2/c1-3-17(25-12-18-13-26-18)4-2-14(1)20-9-15(5-8-23-20)21-10-16-11-22-7-6-19(16)24-21/h1-5,8-10,18,22,24H,6-7,11-13H2
InChIKeyOQSANMJWNFUNGS-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.17
Rot. Bonds5

About 2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine

2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine (PubChem CID 87959274) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
PubChem CID87959274
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
SMILESc1cc(-c2cc3c([nH]2)CCNC3)cc(-c2ccc(OCC3CO3)cc2)n1
InChIInChI=1S/C21H21N3O2/c1-3-17(25-12-18-13-26-18)4-2-14(1)20-9-15(5-8-23-20)21-10-16-11-22-7-6-19(16)24-21/h1-5,8-10,18,22,24H,6-7,11-13H2
InChIKeyOQSANMJWNFUNGS-UHFFFAOYSA-N
XLogP3.17
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine 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-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine (CID 87959274) is 2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine is c1cc(-c2cc3c([nH]2)CCNC3)cc(-c2ccc(OCC3CO3)cc2)n1.
What is the InChIKey of 2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is OQSANMJWNFUNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-17(25-12-18-13-26-18)4-2-14(1)20-9-15(5-8-23-20)21-10-16-11-22-7-6-19(16)24-21/h1-5,8-10,18,22,24H,6-7,11-13H2.
What are the key properties of 2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 347.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 87959274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).