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

C16H17ClF2N4O — CID 118692440

IUPACN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide
SMILESO=C(CC1CC(F)(F)C1)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C16H17ClF2N4O/c17-12-5-4-11-14(21-12)23(10-2-1-3-10)15(20-11)22-13(24)6-9-7-16(18,19)8-9/h4-5,9-10H,1-3,6-8H2,(H,20,22,24)
InChIKeyONZOFSXMXOBLQY-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.18
Rot. Bonds4

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

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 118692440) has the molecular formula C16H17ClF2N4O and a molecular weight of 354.79 g/mol. Its IUPAC name is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID118692440
Molecular FormulaC16H17ClF2N4O
Molecular Weight354.79 g/mol
Exact Mass354.11
IUPAC NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide
SMILESO=C(CC1CC(F)(F)C1)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C16H17ClF2N4O/c17-12-5-4-11-14(21-12)23(10-2-1-3-10)15(20-11)22-13(24)6-9-7-16(18,19)8-9/h4-5,9-10H,1-3,6-8H2,(H,20,22,24)
InChIKeyONZOFSXMXOBLQY-UHFFFAOYSA-N
XLogP4.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 86290780
2-methylpropyl N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)carbamate
CID 90447855
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-cyclopentylacetamide
CID 118697273
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide
CID 90447863
(3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 90447968
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2-dimethylcyclopropyl)acetamide;methane
CID 159980573
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 130359620
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane
CID 157256627
1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol
CID 137393183
N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 130361408

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide (CID 118692440) is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide is O=C(CC1CC(F)(F)C1)Nc1nc2ccc(Cl)nc2n1C1CCC1.
What is the InChIKey of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is ONZOFSXMXOBLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N4O/c17-12-5-4-11-14(21-12)23(10-2-1-3-10)15(20-11)22-13(24)6-9-7-16(18,19)8-9/h4-5,9-10H,1-3,6-8H2,(H,20,22,24).
What are the key properties of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide?
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 354.79 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 118692440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).