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

C21H19F5N4O2 — CID 138533466

IUPAC[4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone
SMILESCC(F)(F)c1nc2c(-c3ccc(C(=O)N4CCOCC4)c(F)c3)nccc2n1CC(F)F
InChIInChI=1S/C21H19F5N4O2/c1-21(25,26)20-28-18-15(30(20)11-16(23)24)4-5-27-17(18)12-2-3-13(14(22)10-12)19(31)29-6-8-32-9-7-29/h2-5,10,16H,6-9,11H2,1H3
InChIKeyLOEJEDISMDRVBU-UHFFFAOYSA-N
MW454.40 g/mol
LogP4.09
Rot. Bonds5

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

[4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone (PubChem CID 138533466) has the molecular formula C21H19F5N4O2 and a molecular weight of 454.40 g/mol. Its IUPAC name is [4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone
PubChem CID138533466
Molecular FormulaC21H19F5N4O2
Molecular Weight454.40 g/mol
Exact Mass454.14
IUPAC Name[4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone
SMILESCC(F)(F)c1nc2c(-c3ccc(C(=O)N4CCOCC4)c(F)c3)nccc2n1CC(F)F
InChIInChI=1S/C21H19F5N4O2/c1-21(25,26)20-28-18-15(30(20)11-16(23)24)4-5-27-17(18)12-2-3-13(14(22)10-12)19(31)29-6-8-32-9-7-29/h2-5,10,16H,6-9,11H2,1H3
InChIKeyLOEJEDISMDRVBU-UHFFFAOYSA-N
XLogP4.09
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone (CID 138533466) is [4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone is CC(F)(F)c1nc2c(-c3ccc(C(=O)N4CCOCC4)c(F)c3)nccc2n1CC(F)F.
What is the InChIKey of [4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone?
The InChIKey is LOEJEDISMDRVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5N4O2/c1-21(25,26)20-28-18-15(30(20)11-16(23)24)4-5-27-17(18)12-2-3-13(14(22)10-12)19(31)29-6-8-32-9-7-29/h2-5,10,16H,6-9,11H2,1H3.
What are the key properties of [4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone?
[4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone has a molecular weight of 454.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1,1-difluoroethyl)-1-(2,2-difluoroethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 138533466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).