N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide

C18H25ClN4O2 — CID 118692549

IUPACN-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
SMILESCC(C)n1c(NC(=O)C[C@@H]2CCCC(C)(C)O2)nc2ccc(Cl)nc21
InChIInChI=1S/C18H25ClN4O2/c1-11(2)23-16-13(7-8-14(19)21-16)20-17(23)22-15(24)10-12-6-5-9-18(3,4)25-12/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,22,24)/t12-/m0/s1
InChIKeyIOUGDAXRPIMAMQ-LBPRGKRZSA-N
MW364.88 g/mol
LogP4.34
Rot. Bonds4

About N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide

N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide (PubChem CID 118692549) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
PubChem CID118692549
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC NameN-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
SMILESCC(C)n1c(NC(=O)C[C@@H]2CCCC(C)(C)O2)nc2ccc(Cl)nc21
InChIInChI=1S/C18H25ClN4O2/c1-11(2)23-16-13(7-8-14(19)21-16)20-17(23)22-15(24)10-12-6-5-9-18(3,4)25-12/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,22,24)/t12-/m0/s1
InChIKeyIOUGDAXRPIMAMQ-LBPRGKRZSA-N
XLogP4.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.34
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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Related Compounds

N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide
CID 129141383
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
CID 118692535
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide
CID 86290824
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide
CID 118692520
N-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide
CID 118699453
N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
CID 118692485
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide
CID 118692616
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane
CID 159448450
N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide;N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-propan-2-yloxypropanamide
CID 159245965
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
CID 118938346
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(2,2-dimethyloxan-4-yl)acetamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(6,6-dimethyloxan-2-yl)acetamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 160566562
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 118692440

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide?
The IUPAC name of N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide (CID 118692549) is N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide.
What is the SMILES notation for N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide?
The canonical SMILES for N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide is CC(C)n1c(NC(=O)C[C@@H]2CCCC(C)(C)O2)nc2ccc(Cl)nc21.
What is the InChIKey of N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide?
The InChIKey is IOUGDAXRPIMAMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-11(2)23-16-13(7-8-14(19)21-16)20-17(23)22-15(24)10-12-6-5-9-18(3,4)25-12/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,22,24)/t12-/m0/s1.
What are the key properties of N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide?
N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide has a molecular weight of 364.88 g/mol, XLogP of 4.34, 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-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide is sourced from PubChem (CID 118692549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).