2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone

C24H35F2N5O — CID 57420688

IUPAC2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
SMILESCC1CCCC2CN(C(=O)CN3CCc4nc(N5CCC(F)(F)CC5)ccc4C3)CCN12
InChIInChI=1S/C24H35F2N5O/c1-18-3-2-4-20-16-30(13-14-31(18)20)23(32)17-28-10-7-21-19(15-28)5-6-22(27-21)29-11-8-24(25,26)9-12-29/h5-6,18,20H,2-4,7-17H2,1H3
InChIKeyHPKYFJCMXOKTQU-UHFFFAOYSA-N
MW447.57 g/mol
LogP2.76
Rot. Bonds3

About 2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone

2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 57420688) has the molecular formula C24H35F2N5O and a molecular weight of 447.57 g/mol. Its IUPAC name is 2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
PubChem CID57420688
Molecular FormulaC24H35F2N5O
Molecular Weight447.57 g/mol
Exact Mass447.28
IUPAC Name2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
SMILESCC1CCCC2CN(C(=O)CN3CCc4nc(N5CCC(F)(F)CC5)ccc4C3)CCN12
InChIInChI=1S/C24H35F2N5O/c1-18-3-2-4-20-16-30(13-14-31(18)20)23(32)17-28-10-7-21-19(15-28)5-6-22(27-21)29-11-8-24(25,26)9-12-29/h5-6,18,20H,2-4,7-17H2,1H3
InChIKeyHPKYFJCMXOKTQU-UHFFFAOYSA-N
XLogP2.76
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone?
The IUPAC name of 2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone (CID 57420688) is 2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone is CC1CCCC2CN(C(=O)CN3CCc4nc(N5CCC(F)(F)CC5)ccc4C3)CCN12.
What is the InChIKey of 2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone?
The InChIKey is HPKYFJCMXOKTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F2N5O/c1-18-3-2-4-20-16-30(13-14-31(18)20)23(32)17-28-10-7-21-19(15-28)5-6-22(27-21)29-11-8-24(25,26)9-12-29/h5-6,18,20H,2-4,7-17H2,1H3.
What are the key properties of 2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone?
2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 447.57 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 57420688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).