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

C26H26F3N5O2 — CID 143707040

IUPAC1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(C2CN=C3C=C(c4ccc(N5CCOCC5)cc4)C=CN32)c1
InChIInChI=1S/C26H26F3N5O2/c27-26(28,29)17-31-25(35)32-21-3-1-2-20(14-21)23-16-30-24-15-19(8-9-34(23)24)18-4-6-22(7-5-18)33-10-12-36-13-11-33/h1-9,14-15,23H,10-13,16-17H2,(H2,31,32,35)
InChIKeyPGFMSIMYXYHWIX-UHFFFAOYSA-N
MW497.52 g/mol
LogP4.57
Rot. Bonds5

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

1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 143707040) has the molecular formula C26H26F3N5O2 and a molecular weight of 497.52 g/mol. Its IUPAC name is 1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID143707040
Molecular FormulaC26H26F3N5O2
Molecular Weight497.52 g/mol
Exact Mass497.20
IUPAC Name1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(C2CN=C3C=C(c4ccc(N5CCOCC5)cc4)C=CN32)c1
InChIInChI=1S/C26H26F3N5O2/c27-26(28,29)17-31-25(35)32-21-3-1-2-20(14-21)23-16-30-24-15-19(8-9-34(23)24)18-4-6-22(7-5-18)33-10-12-36-13-11-33/h1-9,14-15,23H,10-13,16-17H2,(H2,31,32,35)
InChIKeyPGFMSIMYXYHWIX-UHFFFAOYSA-N
XLogP4.57
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide
CID 118709717
7-Methyl-9-(3-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 122179706
7-Methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 122179707
2-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 60486055
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide
CID 137981031
2-[1-[4-(2-morpholin-4-ylethyl)phenyl]-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-propan-2-ylacetamide
CID 86581748
1-[2-(Dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 162658042
1-[2-(4-Fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4588068
N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide
CID 10338281
1-(2-(4-Fluorophenyl)-2-morpholinoethyl)-3-(m-tolyl)urea
CID 18589043
4-{3-Methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 53184236
4-{3-Methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 53184250

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 143707040) is 1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(C2CN=C3C=C(c4ccc(N5CCOCC5)cc4)C=CN32)c1.
What is the InChIKey of 1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is PGFMSIMYXYHWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O2/c27-26(28,29)17-31-25(35)32-21-3-1-2-20(14-21)23-16-30-24-15-19(8-9-34(23)24)18-4-6-22(7-5-18)33-10-12-36-13-11-33/h1-9,14-15,23H,10-13,16-17H2,(H2,31,32,35).
What are the key properties of 1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 497.52 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(4-morpholin-4-ylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 143707040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).