2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate

C15H19ClN4O2 — CID 90447855

IUPAC2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C15H19ClN4O2/c1-9(2)8-22-15(21)19-14-17-11-6-7-12(16)18-13(11)20(14)10-4-3-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,19,21)
InChIKeyQKFZTVYGYPIREB-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.01
Rot. Bonds4

About 2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate

2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate (PubChem CID 90447855) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate
PubChem CID90447855
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C15H19ClN4O2/c1-9(2)8-22-15(21)19-14-17-11-6-7-12(16)18-13(11)20(14)10-4-3-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,19,21)
InChIKeyQKFZTVYGYPIREB-UHFFFAOYSA-N
XLogP4.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate (CID 90447855) is 2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate is CC(C)COC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1.
What is the InChIKey of 2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate?
The InChIKey is QKFZTVYGYPIREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-9(2)8-22-15(21)19-14-17-11-6-7-12(16)18-13(11)20(14)10-4-3-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,19,21).
What are the key properties of 2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate?
2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate has a molecular weight of 322.80 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate is sourced from PubChem (CID 90447855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).