1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one

C26H19F5N4O2 — CID 139231967

IUPAC1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
SMILESCCCn1c(=O)n(Cc2cc(-c3ccc(F)cc3F)no2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H19F5N4O2/c1-2-10-34-24-23(19(26(29,30)31)13-21(32-24)15-6-4-3-5-7-15)35(25(34)36)14-17-12-22(33-37-17)18-9-8-16(27)11-20(18)28/h3-9,11-13H,2,10,14H2,1H3
InChIKeyMCRXSXVZAUGRKH-UHFFFAOYSA-N
MW514.45 g/mol
LogP6.28
Rot. Bonds6

About 1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one

1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 139231967) has the molecular formula C26H19F5N4O2 and a molecular weight of 514.45 g/mol. Its IUPAC name is 1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID139231967
Molecular FormulaC26H19F5N4O2
Molecular Weight514.45 g/mol
Exact Mass514.14
IUPAC Name1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
SMILESCCCn1c(=O)n(Cc2cc(-c3ccc(F)cc3F)no2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H19F5N4O2/c1-2-10-34-24-23(19(26(29,30)31)13-21(32-24)15-6-4-3-5-7-15)35(25(34)36)14-17-12-22(33-37-17)18-9-8-16(27)11-20(18)28/h3-9,11-13H,2,10,14H2,1H3
InChIKeyMCRXSXVZAUGRKH-UHFFFAOYSA-N
XLogP6.28
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.45
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2,4-Bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
CID 11670647
US10617676, Example 8
CID 134489933
US10617676, Example 74
CID 134489973
US10617676, Example 571
CID 134490168
US10617676, Example 12
CID 134493740
US10617676, Example 523
CID 134493809
US10617676, Example 19
CID 134493911
1,3-Dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione
CID 1257284
[8-(6-Fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[4.5]dec-4-yl](5-methyl-3-phenyl-4-isoxazolyl)methanone
CID 2767058
3-(3,4-difluorophenyl)-5-[2-(1H-imidazol-1-yl)propanoyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 56754479
1-[[3-(4-Methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
CID 139231965
1-[(3-Naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
CID 139231966

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (CID 139231967) is 1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one is CCCn1c(=O)n(Cc2cc(-c3ccc(F)cc3F)no2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21.
What is the InChIKey of 1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is MCRXSXVZAUGRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F5N4O2/c1-2-10-34-24-23(19(26(29,30)31)13-21(32-24)15-6-4-3-5-7-15)35(25(34)36)14-17-12-22(33-37-17)18-9-8-16(27)11-20(18)28/h3-9,11-13H,2,10,14H2,1H3.
What are the key properties of 1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 514.45 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139231967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).