5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

C18H18N4O — CID 122608786

IUPAC5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cnc2[nH]cc(-c3ccc4ncn(C(C)C)c4c3)c2c1
InChIInChI=1S/C18H18N4O/c1-11(2)22-10-21-16-5-4-12(6-17(16)22)15-9-20-18-14(15)7-13(23-3)8-19-18/h4-11H,1-3H3,(H,19,20)
InChIKeyLSYXKAIPNKBGOF-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.17
Rot. Bonds3

About 5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 122608786) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID122608786
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cnc2[nH]cc(-c3ccc4ncn(C(C)C)c4c3)c2c1
InChIInChI=1S/C18H18N4O/c1-11(2)22-10-21-16-5-4-12(6-17(16)22)15-9-20-18-14(15)7-13(23-3)8-19-18/h4-11H,1-3H3,(H,19,20)
InChIKeyLSYXKAIPNKBGOF-UHFFFAOYSA-N
XLogP4.17
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
CID 122608897
1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
CID 122608876
N-[3-[7-(3-propan-2-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
CID 122608910
1-methyl-6-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzimidazole
CID 122608789
1-tert-butyl-6-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
CID 122608917
6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1S)-1-phenylethyl]pyrimidin-4-amine
CID 11559269
4,5-bis(4-methoxyphenyl)-1-propan-2-ylimidazole
CID 14278147
5-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 90029253
3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10379453
4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yloxypyridin-2-amine
CID 145127942
3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118709501
N-[3-[3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propane-2-sulfonamide
CID 122608763

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 122608786) is 5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is COc1cnc2[nH]cc(-c3ccc4ncn(C(C)C)c4c3)c2c1.
What is the InChIKey of 5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LSYXKAIPNKBGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-11(2)22-10-21-16-5-4-12(6-17(16)22)15-9-20-18-14(15)7-13(23-3)8-19-18/h4-11H,1-3H3,(H,19,20).
What are the key properties of 5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 306.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 122608786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).