5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine

C23H23N3O — CID 67152624

IUPAC5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine
SMILESCCc1cccc(CC)c1-c1cc2ccn(-c3ccc(OC)nc3)c2cn1
InChIInChI=1S/C23H23N3O/c1-4-16-7-6-8-17(5-2)23(16)20-13-18-11-12-26(21(18)15-24-20)19-9-10-22(27-3)25-14-19/h6-15H,4-5H2,1-3H3
InChIKeyNKMVMYIKFUTEQR-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.22
Rot. Bonds5

About 5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine

5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine (PubChem CID 67152624) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine
PubChem CID67152624
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine
SMILESCCc1cccc(CC)c1-c1cc2ccn(-c3ccc(OC)nc3)c2cn1
InChIInChI=1S/C23H23N3O/c1-4-16-7-6-8-17(5-2)23(16)20-13-18-11-12-26(21(18)15-24-20)19-9-10-22(27-3)25-14-19/h6-15H,4-5H2,1-3H3
InChIKeyNKMVMYIKFUTEQR-UHFFFAOYSA-N
XLogP5.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine (CID 67152624) is 5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine is CCc1cccc(CC)c1-c1cc2ccn(-c3ccc(OC)nc3)c2cn1.
What is the InChIKey of 5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine?
The InChIKey is NKMVMYIKFUTEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-4-16-7-6-8-17(5-2)23(16)20-13-18-11-12-26(21(18)15-24-20)19-9-10-22(27-3)25-14-19/h6-15H,4-5H2,1-3H3.
What are the key properties of 5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine?
5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine has a molecular weight of 357.46 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diethylphenyl)-1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67152624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).