4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide

C24H20F4N4O — CID 46360141

IUPAC4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F4N4O/c25-18-11-9-16(10-12-18)15-32-21(31-20-6-3-13-29-23(20)32)7-2-8-22(33)30-19-5-1-4-17(14-19)24(26,27)28/h1,3-6,9-14H,2,7-8,15H2,(H,30,33)
InChIKeyJLRBHLHXZQCSAB-UHFFFAOYSA-N
MW456.44 g/mol
LogP5.60
Rot. Bonds7

About 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide

4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 46360141) has the molecular formula C24H20F4N4O and a molecular weight of 456.44 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID46360141
Molecular FormulaC24H20F4N4O
Molecular Weight456.44 g/mol
Exact Mass456.16
IUPAC Name4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F4N4O/c25-18-11-9-16(10-12-18)15-32-21(31-20-6-3-13-29-23(20)32)7-2-8-22(33)30-19-5-1-4-17(14-19)24(26,27)28/h1,3-6,9-14H,2,7-8,15H2,(H,30,33)
InChIKeyJLRBHLHXZQCSAB-UHFFFAOYSA-N
XLogP5.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.44
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360195
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide
CID 46360040
N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360187
2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20908548
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 46344277
N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360158
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide
CID 46360070
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-piperidin-1-ylbutan-1-one
CID 46360225
2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
CID 117165879
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 46360068
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide (CID 46360141) is 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide is O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is JLRBHLHXZQCSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O/c25-18-11-9-16(10-12-18)15-32-21(31-20-6-3-13-29-23(20)32)7-2-8-22(33)30-19-5-1-4-17(14-19)24(26,27)28/h1,3-6,9-14H,2,7-8,15H2,(H,30,33).
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide?
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 456.44 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 46360141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).