[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone

C20H17F5N4O2 — CID 154616268

IUPAC[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2nccc3c2nc(C(F)(F)F)n3CC(F)F)cc1)N1CCOCC1
InChIInChI=1S/C20H17F5N4O2/c21-15(22)11-29-14-5-6-26-16(17(14)27-19(29)20(23,24)25)12-1-3-13(4-2-12)18(30)28-7-9-31-10-8-28/h1-6,15H,7-11H2
InChIKeySDPXHOUJTSRAIC-UHFFFAOYSA-N
MW440.37 g/mol
LogP3.85
Rot. Bonds4

About [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone

[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 154616268) has the molecular formula C20H17F5N4O2 and a molecular weight of 440.37 g/mol. Its IUPAC name is [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID154616268
Molecular FormulaC20H17F5N4O2
Molecular Weight440.37 g/mol
Exact Mass440.13
IUPAC Name[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2nccc3c2nc(C(F)(F)F)n3CC(F)F)cc1)N1CCOCC1
InChIInChI=1S/C20H17F5N4O2/c21-15(22)11-29-14-5-6-26-16(17(14)27-19(29)20(23,24)25)12-1-3-13(4-2-12)18(30)28-7-9-31-10-8-28/h1-6,15H,7-11H2
InChIKeySDPXHOUJTSRAIC-UHFFFAOYSA-N
XLogP3.85
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone
CID 138533466
[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone
CID 154616258
2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 138533459
1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 115408209
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 25219261
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113073703
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
morpholin-4-yl-[4-[5-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]phenyl]methanone
CID 68725440

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone (CID 154616268) is [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2nccc3c2nc(C(F)(F)F)n3CC(F)F)cc1)N1CCOCC1.
What is the InChIKey of [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is SDPXHOUJTSRAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5N4O2/c21-15(22)11-29-14-5-6-26-16(17(14)27-19(29)20(23,24)25)12-1-3-13(4-2-12)18(30)28-7-9-31-10-8-28/h1-6,15H,7-11H2.
What are the key properties of [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone?
[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 440.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 154616268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).