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

C19H15F3N6O3 — CID 59321115

IUPAC1-[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
SMILESCn1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)oc1=O
InChIInChI=1S/C19H15F3N6O3/c1-27-18(30)31-16(26-27)12-5-6-28-14(9-23-15(28)8-12)11-3-2-4-13(7-11)25-17(29)24-10-19(20,21)22/h2-9H,10H2,1H3,(H2,24,25,29)
InChIKeyMKXJGKHUUKORSU-UHFFFAOYSA-N
MW432.36 g/mol
LogP3.04
Rot. Bonds4

About 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

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 (PubChem CID 59321115) has the molecular formula C19H15F3N6O3 and a molecular weight of 432.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID59321115
Molecular FormulaC19H15F3N6O3
Molecular Weight432.36 g/mol
Exact Mass432.12
IUPAC Name1-[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
SMILESCn1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)oc1=O
InChIInChI=1S/C19H15F3N6O3/c1-27-18(30)31-16(26-27)12-5-6-28-14(9-23-15(28)8-12)11-3-2-4-13(7-11)25-17(29)24-10-19(20,21)22/h2-9H,10H2,1H3,(H2,24,25,29)
InChIKeyMKXJGKHUUKORSU-UHFFFAOYSA-N
XLogP3.04
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)oc1=O.
What is the InChIKey of 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?
The InChIKey is MKXJGKHUUKORSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O3/c1-27-18(30)31-16(26-27)12-5-6-28-14(9-23-15(28)8-12)11-3-2-4-13(7-11)25-17(29)24-10-19(20,21)22/h2-9H,10H2,1H3,(H2,24,25,29).
What are the key properties of 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?
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 has a molecular weight of 432.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59321115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).