1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride

C22H22ClF3N6O — CID 68595412

IUPAC1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride
SMILESCc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)c(C)n1C.Cl
InChIInChI=1S/C22H21F3N6O.ClH/c1-13-20(28-14(2)30(13)3)16-7-8-31-18(11-26-19(31)10-16)15-5-4-6-17(9-15)29-21(32)27-12-22(23,24)25;/h4-11H,12H2,1-3H3,(H2,27,29,32);1H
InChIKeyQQOXRRJUYKKAPB-UHFFFAOYSA-N
MW478.91 g/mol
LogP5.12
Rot. Bonds4

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

1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride (PubChem CID 68595412) has the molecular formula C22H22ClF3N6O and a molecular weight of 478.91 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride
PubChem CID68595412
Molecular FormulaC22H22ClF3N6O
Molecular Weight478.91 g/mol
Exact Mass478.15
IUPAC Name1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride
SMILESCc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)c(C)n1C.Cl
InChIInChI=1S/C22H21F3N6O.ClH/c1-13-20(28-14(2)30(13)3)16-7-8-31-18(11-26-19(31)10-16)15-5-4-6-17(9-15)29-21(32)27-12-22(23,24)25;/h4-11H,12H2,1-3H3,(H2,27,29,32);1H
InChIKeyQQOXRRJUYKKAPB-UHFFFAOYSA-N
XLogP5.12
TPSA76.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.91
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride 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-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride (CID 68595412) is 1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride is Cc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)c(C)n1C.Cl.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride?
The InChIKey is QQOXRRJUYKKAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O.ClH/c1-13-20(28-14(2)30(13)3)16-7-8-31-18(11-26-19(31)10-16)15-5-4-6-17(9-15)29-21(32)27-12-22(23,24)25;/h4-11H,12H2,1-3H3,(H2,27,29,32);1H.
What are the key properties of 1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride?
1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride has a molecular weight of 478.91 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride is sourced from PubChem (CID 68595412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).