1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C21H20F3N7O2 — CID 46947739

IUPAC1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCNCc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4nnc(C)o4)ccn23)c1
InChIInChI=1S/C21H20F3N7O2/c1-12-29-30-19(33-12)14-3-4-31-17(10-26-18(31)8-14)15-5-13(9-25-2)6-16(7-15)28-20(32)27-11-21(22,23)24/h3-8,10,25H,9,11H2,1-2H3,(H2,27,28,32)
InChIKeyIQZDBXPCLXTBMI-UHFFFAOYSA-N
MW459.43 g/mol
LogP3.76
Rot. Bonds6

About 1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 46947739) has the molecular formula C21H20F3N7O2 and a molecular weight of 459.43 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID46947739
Molecular FormulaC21H20F3N7O2
Molecular Weight459.43 g/mol
Exact Mass459.16
IUPAC Name1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCNCc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4nnc(C)o4)ccn23)c1
InChIInChI=1S/C21H20F3N7O2/c1-12-29-30-19(33-12)14-3-4-31-17(10-26-18(31)8-14)15-5-13(9-25-2)6-16(7-15)28-20(32)27-11-21(22,23)24/h3-8,10,25H,9,11H2,1-2H3,(H2,27,28,32)
InChIKeyIQZDBXPCLXTBMI-UHFFFAOYSA-N
XLogP3.76
TPSA109.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea with MolForge

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Related Compounds

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-(2,4-dimethyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321020
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-(cyanomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 86766799
1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321130
3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
1-[3-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320990
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-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321094
1-[3-[7-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321119
1-[3-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321171
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 46947739) is 1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is CNCc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4nnc(C)o4)ccn23)c1.
What is the InChIKey of 1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is IQZDBXPCLXTBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O2/c1-12-29-30-19(33-12)14-3-4-31-17(10-26-18(31)8-14)15-5-13(9-25-2)6-16(7-15)28-20(32)27-11-21(22,23)24/h3-8,10,25H,9,11H2,1-2H3,(H2,27,28,32).
What are the key properties of 1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 459.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 46947739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).