4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

C16H20ClFN4O — CID 90426445

IUPAC4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(CC(N)=O)Cc1nc2ccc(Cl)nc2n1C1CC(F)C1
InChIInChI=1S/C16H20ClFN4O/c1-16(2,7-13(19)23)8-14-20-11-3-4-12(17)21-15(11)22(14)10-5-9(18)6-10/h3-4,9-10H,5-8H2,1-2H3,(H2,19,23)
InChIKeySBIJKHCIVBXJFM-UHFFFAOYSA-N
MW338.81 g/mol
LogP3.20
Rot. Bonds5

About 4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 90426445) has the molecular formula C16H20ClFN4O and a molecular weight of 338.81 g/mol. Its IUPAC name is 4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
PubChem CID90426445
Molecular FormulaC16H20ClFN4O
Molecular Weight338.81 g/mol
Exact Mass338.13
IUPAC Name4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(CC(N)=O)Cc1nc2ccc(Cl)nc2n1C1CC(F)C1
InChIInChI=1S/C16H20ClFN4O/c1-16(2,7-13(19)23)8-14-20-11-3-4-12(17)21-15(11)22(14)10-5-9(18)6-10/h3-4,9-10H,5-8H2,1-2H3,(H2,19,23)
InChIKeySBIJKHCIVBXJFM-UHFFFAOYSA-N
XLogP3.20
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 53.20
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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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of 4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (CID 90426445) is 4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for 4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for 4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(CC(N)=O)Cc1nc2ccc(Cl)nc2n1C1CC(F)C1.
What is the InChIKey of 4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is SBIJKHCIVBXJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN4O/c1-16(2,7-13(19)23)8-14-20-11-3-4-12(17)21-15(11)22(14)10-5-9(18)6-10/h3-4,9-10H,5-8H2,1-2H3,(H2,19,23).
What are the key properties of 4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 338.81 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-3-(3-fluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 90426445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).