1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C22H15F5N4O — CID 59321126

IUPAC1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)ccc1F
InChIInChI=1S/C22H15F5N4O/c23-16-4-1-13(2-5-16)14-7-8-31-19(11-28-20(31)10-14)15-3-6-17(24)18(9-15)30-21(32)29-12-22(25,26)27/h1-11H,12H2,(H2,29,30,32)
InChIKeyLTMDZZWEJDRWHJ-UHFFFAOYSA-N
MW446.38 g/mol
LogP5.63
Rot. Bonds4

About 1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 59321126) has the molecular formula C22H15F5N4O and a molecular weight of 446.38 g/mol. Its IUPAC name is 1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID59321126
Molecular FormulaC22H15F5N4O
Molecular Weight446.38 g/mol
Exact Mass446.12
IUPAC Name1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)ccc1F
InChIInChI=1S/C22H15F5N4O/c23-16-4-1-13(2-5-16)14-7-8-31-19(11-28-20(31)10-14)15-3-6-17(24)18(9-15)30-21(32)29-12-22(25,26)27/h1-11H,12H2,(H2,29,30,32)
InChIKeyLTMDZZWEJDRWHJ-UHFFFAOYSA-N
XLogP5.63
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.38
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 59321126) is 1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is LTMDZZWEJDRWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N4O/c23-16-4-1-13(2-5-16)14-7-8-31-19(11-28-20(31)10-14)15-3-6-17(24)18(9-15)30-21(32)29-12-22(25,26)27/h1-11H,12H2,(H2,29,30,32).
What are the key properties of 1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 446.38 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 59321126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).