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

C22H16F4N4O — CID 56589626

IUPAC1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1
InChIInChI=1S/C22H16F4N4O/c23-17-6-4-14(5-7-17)15-8-9-30-19(12-27-20(30)11-15)16-2-1-3-18(10-16)29-21(31)28-13-22(24,25)26/h1-12H,13H2,(H2,28,29,31)
InChIKeyBCAIAJFLSCRMPZ-UHFFFAOYSA-N
MW428.39 g/mol
LogP5.49
Rot. Bonds4

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

1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 56589626) has the molecular formula C22H16F4N4O and a molecular weight of 428.39 g/mol. Its IUPAC name is 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID56589626
Molecular FormulaC22H16F4N4O
Molecular Weight428.39 g/mol
Exact Mass428.13
IUPAC Name1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1
InChIInChI=1S/C22H16F4N4O/c23-17-6-4-14(5-7-17)15-8-9-30-19(12-27-20(30)11-15)16-2-1-3-18(10-16)29-21(31)28-13-22(24,25)26/h1-12H,13H2,(H2,28,29,31)
InChIKeyBCAIAJFLSCRMPZ-UHFFFAOYSA-N
XLogP5.49
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.39
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
L-790070
CID 9806182
Kira6
CID 73425700
Gsk-3494245
CID 126571915
Pumaprazole
CID 3052764
2-Amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-5,6-dihydro-8,8-dimethylimidazo(1,2-a)pyrazin-7(8H)-yl)ethanone
CID 49856296
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
Eapb-0203
CID 24779760

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 56589626) is 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1.
What is the InChIKey of 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is BCAIAJFLSCRMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O/c23-17-6-4-14(5-7-17)15-8-9-30-19(12-27-20(30)11-15)16-2-1-3-18(10-16)29-21(31)28-13-22(24,25)26/h1-12H,13H2,(H2,28,29,31).
What are the key properties of 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 428.39 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 56589626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).