4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine

C20H18F6N4O — CID 155052762

IUPAC4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine
SMILESFc1cc(CN2CCOCC2)ccc1-c1nccc2c1nc(C(F)(F)F)n2CC(F)F
InChIInChI=1S/C20H18F6N4O/c21-14-9-12(10-29-5-7-31-8-6-29)1-2-13(14)17-18-15(3-4-27-17)30(11-16(22)23)19(28-18)20(24,25)26/h1-4,9,16H,5-8,10-11H2
InChIKeyPIEAUNJPOCHGDL-UHFFFAOYSA-N
MW444.38 g/mol
LogP4.35
Rot. Bonds5

About 4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine

4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine (PubChem CID 155052762) has the molecular formula C20H18F6N4O and a molecular weight of 444.38 g/mol. Its IUPAC name is 4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine
PubChem CID155052762
Molecular FormulaC20H18F6N4O
Molecular Weight444.38 g/mol
Exact Mass444.14
IUPAC Name4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine
SMILESFc1cc(CN2CCOCC2)ccc1-c1nccc2c1nc(C(F)(F)F)n2CC(F)F
InChIInChI=1S/C20H18F6N4O/c21-14-9-12(10-29-5-7-31-8-6-29)1-2-13(14)17-18-15(3-4-27-17)30(11-16(22)23)19(28-18)20(24,25)26/h1-4,9,16H,5-8,10-11H2
InChIKeyPIEAUNJPOCHGDL-UHFFFAOYSA-N
XLogP4.35
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine (CID 155052762) is 4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine is Fc1cc(CN2CCOCC2)ccc1-c1nccc2c1nc(C(F)(F)F)n2CC(F)F.
What is the InChIKey of 4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine?
The InChIKey is PIEAUNJPOCHGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N4O/c21-14-9-12(10-29-5-7-31-8-6-29)1-2-13(14)17-18-15(3-4-27-17)30(11-16(22)23)19(28-18)20(24,25)26/h1-4,9,16H,5-8,10-11H2.
What are the key properties of 4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine?
4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine has a molecular weight of 444.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-3-fluorophenyl]methyl]morpholine is sourced from PubChem (CID 155052762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).