3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine

C19H15N3O — CID 70112355

IUPAC3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccc(-c2cncc(-c3c[nH]c4cccnc34)c2)cc1
InChIInChI=1S/C19H15N3O/c1-23-16-6-4-13(5-7-16)14-9-15(11-20-10-14)17-12-22-18-3-2-8-21-19(17)18/h2-12,22H,1H3
InChIKeyDABLXZGDANLHNE-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.30
Rot. Bonds3

About 3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine

3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 70112355) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID70112355
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccc(-c2cncc(-c3c[nH]c4cccnc34)c2)cc1
InChIInChI=1S/C19H15N3O/c1-23-16-6-4-13(5-7-16)14-9-15(11-20-10-14)17-12-22-18-3-2-8-21-19(17)18/h2-12,22H,1H3
InChIKeyDABLXZGDANLHNE-UHFFFAOYSA-N
XLogP4.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine (CID 70112355) is 3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine is COc1ccc(-c2cncc(-c3c[nH]c4cccnc34)c2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is DABLXZGDANLHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-23-16-6-4-13(5-7-16)14-9-15(11-20-10-14)17-12-22-18-3-2-8-21-19(17)18/h2-12,22H,1H3.
What are the key properties of 3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine?
3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 301.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-3-pyridinyl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 70112355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).