3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane

C17H16F2N6O — CID 139358039

IUPAC3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESFC(F)c1cn2c(-c3nccc(N4CC5CCC(C4)O5)n3)cnc2cn1
InChIInChI=1S/C17H16F2N6O/c18-16(19)12-9-25-13(5-22-15(25)6-21-12)17-20-4-3-14(23-17)24-7-10-1-2-11(8-24)26-10/h3-6,9-11,16H,1-2,7-8H2
InChIKeyDKQHGPFIBQPYHR-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.49
Rot. Bonds3

About 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 139358039) has the molecular formula C17H16F2N6O and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID139358039
Molecular FormulaC17H16F2N6O
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Name3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESFC(F)c1cn2c(-c3nccc(N4CC5CCC(C4)O5)n3)cnc2cn1
InChIInChI=1S/C17H16F2N6O/c18-16(19)12-9-25-13(5-22-15(25)6-21-12)17-20-4-3-14(23-17)24-7-10-1-2-11(8-24)26-10/h3-6,9-11,16H,1-2,7-8H2
InChIKeyDKQHGPFIBQPYHR-UHFFFAOYSA-N
XLogP2.49
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 139358039) is 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane is FC(F)c1cn2c(-c3nccc(N4CC5CCC(C4)O5)n3)cnc2cn1.
What is the InChIKey of 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is DKQHGPFIBQPYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O/c18-16(19)12-9-25-13(5-22-15(25)6-21-12)17-20-4-3-14(23-17)24-7-10-1-2-11(8-24)26-10/h3-6,9-11,16H,1-2,7-8H2.
What are the key properties of 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 358.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 139358039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).