4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane

C16H15F3N6O — CID 139358801

IUPAC4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCCOCC4)n3)cnc2cn1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)12-10-25-11(8-22-14(25)9-21-12)15-20-3-2-13(23-15)24-4-1-6-26-7-5-24/h2-3,8-10H,1,4-7H2
InChIKeySNYSNDWTGVRCKI-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.43
Rot. Bonds2

About 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane

4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane (PubChem CID 139358801) has the molecular formula C16H15F3N6O and a molecular weight of 364.33 g/mol. Its IUPAC name is 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane
PubChem CID139358801
Molecular FormulaC16H15F3N6O
Molecular Weight364.33 g/mol
Exact Mass364.13
IUPAC Name4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCCOCC4)n3)cnc2cn1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)12-10-25-11(8-22-14(25)9-21-12)15-20-3-2-13(23-15)24-4-1-6-26-7-5-24/h2-3,8-10H,1,4-7H2
InChIKeySNYSNDWTGVRCKI-UHFFFAOYSA-N
XLogP2.43
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane?
The IUPAC name of 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane (CID 139358801) is 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane.
What is the SMILES notation for 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane?
The canonical SMILES for 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane is FC(F)(F)c1cn2c(-c3nccc(N4CCCOCC4)n3)cnc2cn1.
What is the InChIKey of 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane?
The InChIKey is SNYSNDWTGVRCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O/c17-16(18,19)12-10-25-11(8-22-14(25)9-21-12)15-20-3-2-13(23-15)24-4-1-6-26-7-5-24/h2-3,8-10H,1,4-7H2.
What are the key properties of 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane?
4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane has a molecular weight of 364.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane is sourced from PubChem (CID 139358801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).