6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine

C22H20N4O2 — CID 68736718

IUPAC6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc2cc[nH]c2n1.COc1ccc2ccn(-c3ccccc3)c2n1
InChIInChI=1S/C14H12N2O.C8H8N2O/c1-17-13-8-7-11-9-10-16(14(11)15-13)12-5-3-2-4-6-12;1-11-7-3-2-6-4-5-9-8(6)10-7/h2-10H,1H3;2-5H,1H3,(H,9,10)
InChIKeyOTIRCBUVJDFWCM-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.61
Rot. Bonds3

About 6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine

6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 68736718) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID68736718
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc2cc[nH]c2n1.COc1ccc2ccn(-c3ccccc3)c2n1
InChIInChI=1S/C14H12N2O.C8H8N2O/c1-17-13-8-7-11-9-10-16(14(11)15-13)12-5-3-2-4-6-12;1-11-7-3-2-6-4-5-9-8(6)10-7/h2-10H,1H3;2-5H,1H3,(H,9,10)
InChIKeyOTIRCBUVJDFWCM-UHFFFAOYSA-N
XLogP4.61
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine (CID 68736718) is 6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine is COc1ccc2cc[nH]c2n1.COc1ccc2ccn(-c3ccccc3)c2n1.
What is the InChIKey of 6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is OTIRCBUVJDFWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O.C8H8N2O/c1-17-13-8-7-11-9-10-16(14(11)15-13)12-5-3-2-4-6-12;1-11-7-3-2-6-4-5-9-8(6)10-7/h2-10H,1H3;2-5H,1H3,(H,9,10).
What are the key properties of 6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine?
6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 372.43 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-phenylpyrrolo[2,3-b]pyridine;6-methoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 68736718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).