N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane

C18H22F4N4O — CID 157256627

IUPACN-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane
SMILESC.Cc1ccc2nc(NC(=O)CC3CC(F)(F)C3(F)F)n(C3CCC3)c2n1
InChIInChI=1S/C17H18F4N4O.CH4/c1-9-5-6-12-14(22-9)25(11-3-2-4-11)15(23-12)24-13(26)7-10-8-16(18,19)17(10,20)21;/h5-6,10-11H,2-4,7-8H2,1H3,(H,23,24,26);1H4
InChIKeyAWYUOUDQFYLJRB-UHFFFAOYSA-N
MW386.39 g/mol
LogP4.72
Rot. Bonds4

About N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane

N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane (PubChem CID 157256627) has the molecular formula C18H22F4N4O and a molecular weight of 386.39 g/mol. Its IUPAC name is N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane.

Molecular Properties

Compound NameN-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane
PubChem CID157256627
Molecular FormulaC18H22F4N4O
Molecular Weight386.39 g/mol
Exact Mass386.17
IUPAC NameN-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane
SMILESC.Cc1ccc2nc(NC(=O)CC3CC(F)(F)C3(F)F)n(C3CCC3)c2n1
InChIInChI=1S/C17H18F4N4O.CH4/c1-9-5-6-12-14(22-9)25(11-3-2-4-11)15(23-12)24-13(26)7-10-8-16(18,19)17(10,20)21;/h5-6,10-11H,2-4,7-8H2,1H3,(H,23,24,26);1H4
InChIKeyAWYUOUDQFYLJRB-UHFFFAOYSA-N
XLogP4.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2-dimethylcyclopropyl)acetamide;methane
CID 159980573
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-cyclopentylacetamide
CID 118697273
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane
CID 159448450
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4-methoxy-4-methylpentanamide;methane
CID 161374372
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
CID 118697388
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-propan-2-yloxypropanamide;methane
CID 159774443
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CID 130359765
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-ethoxypropanamide
CID 118697340
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 118692440
2-(3-chlorophenyl)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)acetamide
CID 118697357
1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol
CID 137393183
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 118697366

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane?
The IUPAC name of N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane (CID 157256627) is N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane.
What is the SMILES notation for N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane?
The canonical SMILES for N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane is C.Cc1ccc2nc(NC(=O)CC3CC(F)(F)C3(F)F)n(C3CCC3)c2n1.
What is the InChIKey of N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane?
The InChIKey is AWYUOUDQFYLJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N4O.CH4/c1-9-5-6-12-14(22-9)25(11-3-2-4-11)15(23-12)24-13(26)7-10-8-16(18,19)17(10,20)21;/h5-6,10-11H,2-4,7-8H2,1H3,(H,23,24,26);1H4.
What are the key properties of N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane?
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane has a molecular weight of 386.39 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane is sourced from PubChem (CID 157256627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).