1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen

C21H23F3N6O2 — CID 143908025

IUPAC1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen
SMILESCOc1cn(C)nc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.[H][H].[H][H]
InChIInChI=1S/C21H19F3N6O2.2H2/c1-29-11-17(32-2)19(28-29)14-6-7-30-16(10-25-18(30)9-14)13-4-3-5-15(8-13)27-20(31)26-12-21(22,23)24;;/h3-11H,12H2,1-2H3,(H2,26,27,31);2*1H
InChIKeyGDLZNDDVYUIWEE-UHFFFAOYSA-N
MW448.45 g/mol
LogP4.59
Rot. Bonds5

About 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen

1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen (PubChem CID 143908025) has the molecular formula C21H23F3N6O2 and a molecular weight of 448.45 g/mol. Its IUPAC name is 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen.

Molecular Properties

Compound Name1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen
PubChem CID143908025
Molecular FormulaC21H23F3N6O2
Molecular Weight448.45 g/mol
Exact Mass448.18
IUPAC Name1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen
SMILESCOc1cn(C)nc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.[H][H].[H][H]
InChIInChI=1S/C21H19F3N6O2.2H2/c1-29-11-17(32-2)19(28-29)14-6-7-30-16(10-25-18(30)9-14)13-4-3-5-15(8-13)27-20(31)26-12-21(22,23)24;;/h3-11H,12H2,1-2H3,(H2,26,27,31);2*1H
InChIKeyGDLZNDDVYUIWEE-UHFFFAOYSA-N
XLogP4.59
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen 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

1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 143908026
1-[3-(7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320981
1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 59321137
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
1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321130
1-[3-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321171
3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
1-[3-[7-(5-methyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320919
1-[3-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320990
1-[3-[7-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321115
1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 143908065
[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]boronic acid
CID 59320848

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen?
The IUPAC name of 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen (CID 143908025) is 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen.
What is the SMILES notation for 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen?
The canonical SMILES for 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen is COc1cn(C)nc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.[H][H].[H][H].
What is the InChIKey of 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen?
The InChIKey is GDLZNDDVYUIWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2.2H2/c1-29-11-17(32-2)19(28-29)14-6-7-30-16(10-25-18(30)9-14)13-4-3-5-15(8-13)27-20(31)26-12-21(22,23)24;;/h3-11H,12H2,1-2H3,(H2,26,27,31);2*1H.
What are the key properties of 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen?
1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen has a molecular weight of 448.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;molecular hydrogen is sourced from PubChem (CID 143908025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).