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

C26H24F3N5O2 — CID 59320991

IUPAC1-[3-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCOCC5)cc4)ccn23)c1
InChIInChI=1S/C26H24F3N5O2/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/h1-9,14-16H,10-13,17H2,(H2,31,32,35)
InChIKeyPDHBWUYDPWZBSW-UHFFFAOYSA-N
MW495.51 g/mol
LogP5.19
Rot. Bonds5

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

1-[3-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 59320991) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 1-[3-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID59320991
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name1-[3-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCOCC5)cc4)ccn23)c1
InChIInChI=1S/C26H24F3N5O2/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/h1-9,14-16H,10-13,17H2,(H2,31,32,35)
InChIKeyPDHBWUYDPWZBSW-UHFFFAOYSA-N
XLogP5.19
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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2-({12-Methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethan-1-ol
CID 9922100
N-{4-[8-Amino-3-(Propan-2-Yl)imidazo[1,5-A]pyrazin-1-Yl]naphthalen-1-Yl}-N'-[3-(Trifluoromethyl)phenyl]urea
CID 60196244
N-{(3s)-1-[2-(Methylamino)pyrimidin-4-Yl]pyrrolidin-3-Yl}-N'-{4-[(Morpholin-4-Yl)methyl]-3-(Trifluoromethyl)phenyl}urea
CID 117995570
1-[4-[8-Amino-3-(1-methylcyclopropyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 121596789
2-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}ethanol
CID 24746215
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 59320991) is 1-[3-[7-(4-morpholin-4-ylphenyl)imidazo[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)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCOCC5)cc4)ccn23)c1.
What is the InChIKey of 1-[3-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is PDHBWUYDPWZBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/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/h1-9,14-16H,10-13,17H2,(H2,31,32,35).
What are the key properties of 1-[3-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 495.51 g/mol, XLogP of 5.19, 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)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 59320991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).