4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine

C22H20F3N5O — CID 122510702

IUPAC4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine
SMILESFc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(N4CCOCC4)n3c2)cc1
InChIInChI=1S/C22H20F3N5O/c23-17-4-1-15(2-5-17)21-22(29(14-27-21)13-18(24)25)16-3-6-19-26-11-20(30(19)12-16)28-7-9-31-10-8-28/h1-6,11-12,14,18H,7-10,13H2
InChIKeyFRGQJEZFWPDEFR-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.11
Rot. Bonds5

About 4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine

4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine (PubChem CID 122510702) has the molecular formula C22H20F3N5O and a molecular weight of 427.43 g/mol. Its IUPAC name is 4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine
PubChem CID122510702
Molecular FormulaC22H20F3N5O
Molecular Weight427.43 g/mol
Exact Mass427.16
IUPAC Name4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine
SMILESFc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(N4CCOCC4)n3c2)cc1
InChIInChI=1S/C22H20F3N5O/c23-17-4-1-15(2-5-17)21-22(29(14-27-21)13-18(24)25)16-3-6-19-26-11-20(30(19)12-16)28-7-9-31-10-8-28/h1-6,11-12,14,18H,7-10,13H2
InChIKeyFRGQJEZFWPDEFR-UHFFFAOYSA-N
XLogP4.11
TPSA47.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine?
The IUPAC name of 4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine (CID 122510702) is 4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine is Fc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(N4CCOCC4)n3c2)cc1.
What is the InChIKey of 4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine?
The InChIKey is FRGQJEZFWPDEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O/c23-17-4-1-15(2-5-17)21-22(29(14-27-21)13-18(24)25)16-3-6-19-26-11-20(30(19)12-16)28-7-9-31-10-8-28/h1-6,11-12,14,18H,7-10,13H2.
What are the key properties of 4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine?
4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine has a molecular weight of 427.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]morpholine is sourced from PubChem (CID 122510702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).