N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide

C19H25ClN4O2 — CID 86290824

IUPACN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide
SMILESCC1(C)CCC[C@H](CC(=O)Nc2nc3ccc(Cl)nc3n2C2CCC2)O1
InChIInChI=1S/C19H25ClN4O2/c1-19(2)10-4-7-13(26-19)11-16(25)23-18-21-14-8-9-15(20)22-17(14)24(18)12-5-3-6-12/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,21,23,25)/t13-/m1/s1
InChIKeyHOIKZAXHKLMAJZ-CYBMUJFWSA-N
MW376.89 g/mol
LogP4.49
Rot. Bonds4

About N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide (PubChem CID 86290824) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide
PubChem CID86290824
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide
SMILESCC1(C)CCC[C@H](CC(=O)Nc2nc3ccc(Cl)nc3n2C2CCC2)O1
InChIInChI=1S/C19H25ClN4O2/c1-19(2)10-4-7-13(26-19)11-16(25)23-18-21-14-8-9-15(20)22-17(14)24(18)12-5-3-6-12/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,21,23,25)/t13-/m1/s1
InChIKeyHOIKZAXHKLMAJZ-CYBMUJFWSA-N
XLogP4.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.49
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)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide 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)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide?
The IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide (CID 86290824) is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide.
What is the SMILES notation for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide?
The canonical SMILES for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide is CC1(C)CCC[C@H](CC(=O)Nc2nc3ccc(Cl)nc3n2C2CCC2)O1.
What is the InChIKey of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide?
The InChIKey is HOIKZAXHKLMAJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-19(2)10-4-7-13(26-19)11-16(25)23-18-21-14-8-9-15(20)22-17(14)24(18)12-5-3-6-12/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,21,23,25)/t13-/m1/s1.
What are the key properties of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide?
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide has a molecular weight of 376.89 g/mol, XLogP of 4.49, 4 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)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide is sourced from PubChem (CID 86290824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).