5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

C20H18N4O — CID 75203068

IUPAC5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(C)c(-c2cnc3[nH]c(-c4cnccc4C)cc3c2)cn1
InChIInChI=1S/C20H18N4O/c1-12-4-5-21-10-17(12)18-8-14-7-15(9-23-20(14)24-18)16-11-22-19(25-3)6-13(16)2/h4-11H,1-3H3,(H,23,24)
InChIKeySJYMTNYKDIUSNZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.31
Rot. Bonds3

About 5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 75203068) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID75203068
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(C)c(-c2cnc3[nH]c(-c4cnccc4C)cc3c2)cn1
InChIInChI=1S/C20H18N4O/c1-12-4-5-21-10-17(12)18-8-14-7-15(9-23-20(14)24-18)16-11-22-19(25-3)6-13(16)2/h4-11H,1-3H3,(H,23,24)
InChIKeySJYMTNYKDIUSNZ-UHFFFAOYSA-N
XLogP4.31
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 75203068) is 5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is COc1cc(C)c(-c2cnc3[nH]c(-c4cnccc4C)cc3c2)cn1.
What is the InChIKey of 5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SJYMTNYKDIUSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-12-4-5-21-10-17(12)18-8-14-7-15(9-23-20(14)24-18)16-11-22-19(25-3)6-13(16)2/h4-11H,1-3H3,(H,23,24).
What are the key properties of 5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 330.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-4-methyl-3-pyridinyl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 75203068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).