8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one

C23H32N6O2 — CID 154584650

IUPAC8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESO=C1NC2CC(CN3CCN(c4nc5cccnc5o4)CC3)CCC2C2NCCCC12
InChIInChI=1S/C23H32N6O2/c30-21-17-3-1-7-24-20(17)16-6-5-15(13-19(16)26-21)14-28-9-11-29(12-10-28)23-27-18-4-2-8-25-22(18)31-23/h2,4,8,15-17,19-20,24H,1,3,5-7,9-14H2,(H,26,30)
InChIKeyCCGLAWWUZKGXNR-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.63
Rot. Bonds3

About 8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one

8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 154584650) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID154584650
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESO=C1NC2CC(CN3CCN(c4nc5cccnc5o4)CC3)CCC2C2NCCCC12
InChIInChI=1S/C23H32N6O2/c30-21-17-3-1-7-24-20(17)16-6-5-15(13-19(16)26-21)14-28-9-11-29(12-10-28)23-27-18-4-2-8-25-22(18)31-23/h2,4,8,15-17,19-20,24H,1,3,5-7,9-14H2,(H,26,30)
InChIKeyCCGLAWWUZKGXNR-UHFFFAOYSA-N
XLogP1.63
TPSA86.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 154584650) is 8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one is O=C1NC2CC(CN3CCN(c4nc5cccnc5o4)CC3)CCC2C2NCCCC12.
What is the InChIKey of 8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is CCGLAWWUZKGXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c30-21-17-3-1-7-24-20(17)16-6-5-15(13-19(16)26-21)14-28-9-11-29(12-10-28)23-27-18-4-2-8-25-22(18)31-23/h2,4,8,15-17,19-20,24H,1,3,5-7,9-14H2,(H,26,30).
What are the key properties of 8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 424.55 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 154584650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).