2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide

C25H21F5N4O — CID 18732673

IUPAC2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide
SMILESCCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2c(F)cccc2C(F)(F)F)nc2cccnc21
InChIInChI=1S/C25H21F5N4O/c1-2-13-34-21(32-20-7-4-12-31-23(20)34)15-33(14-16-8-10-17(26)11-9-16)24(35)22-18(25(28,29)30)5-3-6-19(22)27/h3-12H,2,13-15H2,1H3
InChIKeyURVIBTMJZOBEDK-UHFFFAOYSA-N
MW488.46 g/mol
LogP5.98
Rot. Bonds7

About 2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide

2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide (PubChem CID 18732673) has the molecular formula C25H21F5N4O and a molecular weight of 488.46 g/mol. Its IUPAC name is 2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide
PubChem CID18732673
Molecular FormulaC25H21F5N4O
Molecular Weight488.46 g/mol
Exact Mass488.16
IUPAC Name2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide
SMILESCCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2c(F)cccc2C(F)(F)F)nc2cccnc21
InChIInChI=1S/C25H21F5N4O/c1-2-13-34-21(32-20-7-4-12-31-23(20)34)15-33(14-16-8-10-17(26)11-9-16)24(35)22-18(25(28,29)30)5-3-6-19(22)27/h3-12H,2,13-15H2,1H3
InChIKeyURVIBTMJZOBEDK-UHFFFAOYSA-N
XLogP5.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.46
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zolpidem
CID 5732
IC 87114
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CID 138578805
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
3-(2-(3H-imidazo[4,5-b]pyridin-6-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
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4-[8-Azanyl-3-[(3~{r},6~{s})-1-Cyclopropylcarbonyl-6-Methyl-Piperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-3-Fluoranyl-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
CID 71226367
3-(2-imidazo[1,2-a]pyrazin-5-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
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N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 56929808
1-[5-(4-Amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57519740
Imidazopyridine 12a
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Imidazopyridine 18a
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide (CID 18732673) is 2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide is CCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2c(F)cccc2C(F)(F)F)nc2cccnc21.
What is the InChIKey of 2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide?
The InChIKey is URVIBTMJZOBEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F5N4O/c1-2-13-34-21(32-20-7-4-12-31-23(20)34)15-33(14-16-8-10-17(26)11-9-16)24(35)22-18(25(28,29)30)5-3-6-19(22)27/h3-12H,2,13-15H2,1H3.
What are the key properties of 2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide?
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide has a molecular weight of 488.46 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 18732673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).