3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine

C17H24N2O — CID 139373380

IUPAC3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine
SMILESCOC1CCCC1n1cc(C(C)(C)C)c2cccnc21
InChIInChI=1S/C17H24N2O/c1-17(2,3)13-11-19(14-8-5-9-15(14)20-4)16-12(13)7-6-10-18-16/h6-7,10-11,14-15H,5,8-9H2,1-4H3
InChIKeyVKLFQCQYFKQRBJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.07
Rot. Bonds2

About 3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine

3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine (PubChem CID 139373380) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine
PubChem CID139373380
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine
SMILESCOC1CCCC1n1cc(C(C)(C)C)c2cccnc21
InChIInChI=1S/C17H24N2O/c1-17(2,3)13-11-19(14-8-5-9-15(14)20-4)16-12(13)7-6-10-18-16/h6-7,10-11,14-15H,5,8-9H2,1-4H3
InChIKeyVKLFQCQYFKQRBJ-UHFFFAOYSA-N
XLogP4.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine (CID 139373380) is 3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine is COC1CCCC1n1cc(C(C)(C)C)c2cccnc21.
What is the InChIKey of 3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine?
The InChIKey is VKLFQCQYFKQRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2,3)13-11-19(14-8-5-9-15(14)20-4)16-12(13)7-6-10-18-16/h6-7,10-11,14-15H,5,8-9H2,1-4H3.
What are the key properties of 3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine?
3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine has a molecular weight of 272.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 139373380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).