3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine

C13H16F2N4O — CID 121439867

IUPAC3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine
SMILESC[C@@H]1CC[C@@H](Oc2nccn3c(C(F)F)cnc23)CN1
InChIInChI=1S/C13H16F2N4O/c1-8-2-3-9(6-17-8)20-13-12-18-7-10(11(14)15)19(12)5-4-16-13/h4-5,7-9,11,17H,2-3,6H2,1H3/t8-,9-/m1/s1
InChIKeyMWNHUBFQRWBBAG-RKDXNWHRSA-N
MW282.29 g/mol
LogP2.19
Rot. Bonds3

About 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine

3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine (PubChem CID 121439867) has the molecular formula C13H16F2N4O and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine
PubChem CID121439867
Molecular FormulaC13H16F2N4O
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Name3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine
SMILESC[C@@H]1CC[C@@H](Oc2nccn3c(C(F)F)cnc23)CN1
InChIInChI=1S/C13H16F2N4O/c1-8-2-3-9(6-17-8)20-13-12-18-7-10(11(14)15)19(12)5-4-16-13/h4-5,7-9,11,17H,2-3,6H2,1H3/t8-,9-/m1/s1
InChIKeyMWNHUBFQRWBBAG-RKDXNWHRSA-N
XLogP2.19
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine (CID 121439867) is 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine is C[C@@H]1CC[C@@H](Oc2nccn3c(C(F)F)cnc23)CN1.
What is the InChIKey of 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine?
The InChIKey is MWNHUBFQRWBBAG-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H16F2N4O/c1-8-2-3-9(6-17-8)20-13-12-18-7-10(11(14)15)19(12)5-4-16-13/h4-5,7-9,11,17H,2-3,6H2,1H3/t8-,9-/m1/s1.
What are the key properties of 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine?
3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine has a molecular weight of 282.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 121439867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).