(3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone

C14H18F2N4O — CID 91783251

IUPAC(3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
SMILESCN1CCN2CCN(C(=O)c3ncc(F)cc3F)CC2C1
InChIInChI=1S/C14H18F2N4O/c1-18-2-3-19-4-5-20(9-11(19)8-18)14(21)13-12(16)6-10(15)7-17-13/h6-7,11H,2-5,8-9H2,1H3
InChIKeyBVPNCDTVVMTABA-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.43
Rot. Bonds1

About (3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone

(3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone (PubChem CID 91783251) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is (3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
PubChem CID91783251
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
SMILESCN1CCN2CCN(C(=O)c3ncc(F)cc3F)CC2C1
InChIInChI=1S/C14H18F2N4O/c1-18-2-3-19-4-5-20(9-11(19)8-18)14(21)13-12(16)6-10(15)7-17-13/h6-7,11H,2-5,8-9H2,1H3
InChIKeyBVPNCDTVVMTABA-UHFFFAOYSA-N
XLogP0.43
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone (CID 91783251) is (3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone is CN1CCN2CCN(C(=O)c3ncc(F)cc3F)CC2C1.
What is the InChIKey of (3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is BVPNCDTVVMTABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-18-2-3-19-4-5-20(9-11(19)8-18)14(21)13-12(16)6-10(15)7-17-13/h6-7,11H,2-5,8-9H2,1H3.
What are the key properties of (3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
(3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 296.32 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 91783251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).