1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea

C20H20F3N5O2 — CID 59321195

IUPAC1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(N4CCOCC4)ccn23)c1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)13-25-19(29)26-15-3-1-2-14(10-15)17-12-24-18-11-16(4-5-28(17)18)27-6-8-30-9-7-27/h1-5,10-12H,6-9,13H2,(H2,25,26,29)
InChIKeyHMUKIOBQHZBOKA-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.52
Rot. Bonds4

About 1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 59321195) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID59321195
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(N4CCOCC4)ccn23)c1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)13-25-19(29)26-15-3-1-2-14(10-15)17-12-24-18-11-16(4-5-28(17)18)27-6-8-30-9-7-27/h1-5,10-12H,6-9,13H2,(H2,25,26,29)
InChIKeyHMUKIOBQHZBOKA-UHFFFAOYSA-N
XLogP3.52
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 59321195) is 1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(N4CCOCC4)ccn23)c1.
What is the InChIKey of 1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is HMUKIOBQHZBOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c21-20(22,23)13-25-19(29)26-15-3-1-2-14(10-15)17-12-24-18-11-16(4-5-28(17)18)27-6-8-30-9-7-27/h1-5,10-12H,6-9,13H2,(H2,25,26,29).
What are the key properties of 1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 419.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 59321195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).