1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine

C15H22N2 — CID 58499140

IUPAC1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine
SMILESCC(C)Cc1cc2nc(C(C)C)ccc2n1C
InChIInChI=1S/C15H22N2/c1-10(2)8-12-9-14-15(17(12)5)7-6-13(16-14)11(3)4/h6-7,9-11H,8H2,1-5H3
InChIKeyPODMIMCLJPAEMB-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.90
Rot. Bonds3

About 1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine

1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine (PubChem CID 58499140) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine
PubChem CID58499140
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine
SMILESCC(C)Cc1cc2nc(C(C)C)ccc2n1C
InChIInChI=1S/C15H22N2/c1-10(2)8-12-9-14-15(17(12)5)7-6-13(16-14)11(3)4/h6-7,9-11H,8H2,1-5H3
InChIKeyPODMIMCLJPAEMB-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine (CID 58499140) is 1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine is CC(C)Cc1cc2nc(C(C)C)ccc2n1C.
What is the InChIKey of 1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine?
The InChIKey is PODMIMCLJPAEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10(2)8-12-9-14-15(17(12)5)7-6-13(16-14)11(3)4/h6-7,9-11H,8H2,1-5H3.
What are the key properties of 1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine?
1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine has a molecular weight of 230.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 58499140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).