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

C22H19F3N6O2 — CID 58080739

IUPAC1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCn1cncc1CC(=O)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C22H19F3N6O2/c1-30-13-26-10-17(30)9-19(32)15-5-6-31-18(11-27-20(31)8-15)14-3-2-4-16(7-14)29-21(33)28-12-22(23,24)25/h2-8,10-11,13H,9,12H2,1H3,(H2,28,29,33)
InChIKeyQEUOYZRQPVZCCL-UHFFFAOYSA-N
MW456.43 g/mol
LogP3.84
Rot. Bonds6

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

1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 58080739) has the molecular formula C22H19F3N6O2 and a molecular weight of 456.43 g/mol. Its IUPAC name is 1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID58080739
Molecular FormulaC22H19F3N6O2
Molecular Weight456.43 g/mol
Exact Mass456.15
IUPAC Name1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCn1cncc1CC(=O)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C22H19F3N6O2/c1-30-13-26-10-17(30)9-19(32)15-5-6-31-18(11-27-20(31)8-15)14-3-2-4-16(7-14)29-21(33)28-12-22(23,24)25/h2-8,10-11,13H,9,12H2,1H3,(H2,28,29,33)
InChIKeyQEUOYZRQPVZCCL-UHFFFAOYSA-N
XLogP3.84
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[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

Related Compounds

Acalabrutinib
CID 71226662
AR-H047108
CID 9864291
(2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 56834890
(3R)-1-(2-(1-((4-fluorophenyl)methyl)-1H-indol-2-yl)-3-methylimidazo(1,2-a)pyridine-7-carbonyl)piperidin-3-amine
CID 138578805
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 56929808
4-(tert-Butyl)-N-(3-(8-(phenylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)benzamide
CID 11397050
4-Tert-Butyl-N-[6-(1h-Imidazol-1-Yl)imidazo[1,2-A]pyridin-2-Yl]benzamide
CID 24944925
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
N-(4-{5-[3-(Acetylamino)phenyl]-2-(2-Aminopyridin-3-Yl)-3h-Imidazo[4,5-B]pyridin-3-Yl}benzyl)-3-Fluorobenzamide
CID 56965952

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 58080739) is 1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is Cn1cncc1CC(=O)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.
What is the InChIKey of 1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is QEUOYZRQPVZCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2/c1-30-13-26-10-17(30)9-19(32)15-5-6-31-18(11-27-20(31)8-15)14-3-2-4-16(7-14)29-21(33)28-12-22(23,24)25/h2-8,10-11,13H,9,12H2,1H3,(H2,28,29,33).
What are the key properties of 1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 456.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-[2-(3-methylimidazol-4-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 58080739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).