1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C20H15F3N6O2 — CID 86766768

IUPAC1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C1C=NC(c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C=N1
InChIInChI=1S/C20H15F3N6O2/c21-20(22,23)11-27-19(31)28-14-3-1-2-13(6-14)16-9-25-17-7-12(4-5-29(16)17)15-8-26-18(30)10-24-15/h1-10,15H,11H2,(H2,27,28,31)
InChIKeyDWOKOCLXRYMDRY-UHFFFAOYSA-N
MW428.37 g/mol
LogP3.41
Rot. Bonds4

About 1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 86766768) has the molecular formula C20H15F3N6O2 and a molecular weight of 428.37 g/mol. Its IUPAC name is 1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID86766768
Molecular FormulaC20H15F3N6O2
Molecular Weight428.37 g/mol
Exact Mass428.12
IUPAC Name1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C1C=NC(c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C=N1
InChIInChI=1S/C20H15F3N6O2/c21-20(22,23)11-27-19(31)28-14-3-1-2-13(6-14)16-9-25-17-7-12(4-5-29(16)17)15-8-26-18(30)10-24-15/h1-10,15H,11H2,(H2,27,28,31)
InChIKeyDWOKOCLXRYMDRY-UHFFFAOYSA-N
XLogP3.41
TPSA100.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 86766768) is 1-[3-[7-(5-oxo-2H-pyrazin-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-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C1C=NC(c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C=N1.
What is the InChIKey of 1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is DWOKOCLXRYMDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O2/c21-20(22,23)11-27-19(31)28-14-3-1-2-13(6-14)16-9-25-17-7-12(4-5-29(16)17)15-8-26-18(30)10-24-15/h1-10,15H,11H2,(H2,27,28,31).
What are the key properties of 1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 428.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(5-oxo-2H-pyrazin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 86766768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).