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

C18H18ClFN4O — CID 90448043

IUPACN-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1
InChIInChI=1S/C18H18ClFN4O/c1-18(2,3)10-15(25)23-17-21-13-8-9-14(19)22-16(13)24(17)12-6-4-11(20)5-7-12/h4-9H,10H2,1-3H3,(H,21,23,25)
InChIKeyBEFZUXHFQCVKMC-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.59
Rot. Bonds3

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

N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 90448043) has the molecular formula C18H18ClFN4O and a molecular weight of 360.82 g/mol. Its IUPAC name is N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
PubChem CID90448043
Molecular FormulaC18H18ClFN4O
Molecular Weight360.82 g/mol
Exact Mass360.12
IUPAC NameN-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1
InChIInChI=1S/C18H18ClFN4O/c1-18(2,3)10-15(25)23-17-21-13-8-9-14(19)22-16(13)24(17)12-6-4-11(20)5-7-12/h4-9H,10H2,1-3H3,(H,21,23,25)
InChIKeyBEFZUXHFQCVKMC-UHFFFAOYSA-N
XLogP4.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.59
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-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide
CID 130361366
(3S)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359652
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 137393658
4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 130361336
(3S)-N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide
CID 130361339
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide
CID 118692616
3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 130359669
N-[3-(2,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 130359706
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-methoxy-3-methylbutanamide
CID 118692496
N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 157258571
N-[5-chloro-3-(3,4-difluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-chloro-3-(3,5-difluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 160549347
(2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 159237204

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (CID 90448043) is N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1.
What is the InChIKey of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is BEFZUXHFQCVKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O/c1-18(2,3)10-15(25)23-17-21-13-8-9-14(19)22-16(13)24(17)12-6-4-11(20)5-7-12/h4-9H,10H2,1-3H3,(H,21,23,25).
What are the key properties of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 360.82 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 90448043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).