1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine

C15H22N2 — CID 165410772

IUPAC1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine
SMILESCCn1ccc2c(C(C)C)cc(C(C)C)nc21
InChIInChI=1S/C15H22N2/c1-6-17-8-7-12-13(10(2)3)9-14(11(4)5)16-15(12)17/h7-11H,6H2,1-5H3
InChIKeyAYHYZMVSHJWCHE-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.30
Rot. Bonds3

About 1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine

1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine (PubChem CID 165410772) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine
PubChem CID165410772
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine
SMILESCCn1ccc2c(C(C)C)cc(C(C)C)nc21
InChIInChI=1S/C15H22N2/c1-6-17-8-7-12-13(10(2)3)9-14(11(4)5)16-15(12)17/h7-11H,6H2,1-5H3
InChIKeyAYHYZMVSHJWCHE-UHFFFAOYSA-N
XLogP4.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 166470261
1-ethyl-4,6-dimethylpyrrolo[2,3-b]pyridin-5-ol
CID 56839063
5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine
CID 174196547
1-ethyl-2-phenyl-3-propan-2-ylpyrrole
CID 1270769
3,5-diethylpyrrolo[2,3-b]pyrazine
CID 166103994
ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole
CID 169218141
7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one
CID 71378099
1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine
CID 175626324
7-ethylpyrrolo[2,3-d]pyrimidine
CID 69299985
5-methyl-3-propan-2-ylpyrrolo[2,3-b]pyrazine
CID 178008387
ethane;1-ethyl-3-propan-2-ylpyrazole
CID 143299826
3,4,6-tri(propan-2-yl)pyridazine
CID 58164838

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine (CID 165410772) is 1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine is CCn1ccc2c(C(C)C)cc(C(C)C)nc21.
What is the InChIKey of 1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is AYHYZMVSHJWCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-6-17-8-7-12-13(10(2)3)9-14(11(4)5)16-15(12)17/h7-11H,6H2,1-5H3.
What are the key properties of 1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine?
1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 230.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 165410772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).