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

C17H21ClN4O2 — CID 90447863

IUPACN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide
SMILESO=C(CCC1CCOC1)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C17H21ClN4O2/c18-14-6-5-13-16(20-14)22(12-2-1-3-12)17(19-13)21-15(23)7-4-11-8-9-24-10-11/h5-6,11-12H,1-4,7-10H2,(H,19,21,23)
InChIKeyBTPHSTCTHPOWLJ-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.56
Rot. Bonds5

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

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide (PubChem CID 90447863) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide
PubChem CID90447863
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide
SMILESO=C(CCC1CCOC1)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C17H21ClN4O2/c18-14-6-5-13-16(20-14)22(12-2-1-3-12)17(19-13)21-15(23)7-4-11-8-9-24-10-11/h5-6,11-12H,1-4,7-10H2,(H,19,21,23)
InChIKeyBTPHSTCTHPOWLJ-UHFFFAOYSA-N
XLogP3.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide?
The IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide (CID 90447863) is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide.
What is the SMILES notation for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide?
The canonical SMILES for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide is O=C(CCC1CCOC1)Nc1nc2ccc(Cl)nc2n1C1CCC1.
What is the InChIKey of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide?
The InChIKey is BTPHSTCTHPOWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-14-6-5-13-16(20-14)22(12-2-1-3-12)17(19-13)21-15(23)7-4-11-8-9-24-10-11/h5-6,11-12H,1-4,7-10H2,(H,19,21,23).
What are the key properties of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide?
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide has a molecular weight of 348.83 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide is sourced from PubChem (CID 90447863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).