4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one

C25H31N5O2 — CID 164578624

IUPAC4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one
SMILESC[C@@H]1CN(c2cc(=O)n(C)c3ncccc23)C[C@@H]2c3ccc(OCCN(C)C)cc3CN12
InChIInChI=1S/C25H31N5O2/c1-17-14-29(22-13-24(31)28(4)25-21(22)6-5-9-26-25)16-23-20-8-7-19(32-11-10-27(2)3)12-18(20)15-30(17)23/h5-9,12-13,17,23H,10-11,14-16H2,1-4H3/t17-,23-/m1/s1
InChIKeyJRJGYNKWYMWAOO-UZUQRXQVSA-N
MW433.56 g/mol
LogP2.64
Rot. Bonds5

About 4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one

4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one (PubChem CID 164578624) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one
PubChem CID164578624
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one
SMILESC[C@@H]1CN(c2cc(=O)n(C)c3ncccc23)C[C@@H]2c3ccc(OCCN(C)C)cc3CN12
InChIInChI=1S/C25H31N5O2/c1-17-14-29(22-13-24(31)28(4)25-21(22)6-5-9-26-25)16-23-20-8-7-19(32-11-10-27(2)3)12-18(20)15-30(17)23/h5-9,12-13,17,23H,10-11,14-16H2,1-4H3/t17-,23-/m1/s1
InChIKeyJRJGYNKWYMWAOO-UZUQRXQVSA-N
XLogP2.64
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one (CID 164578624) is 4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one is C[C@@H]1CN(c2cc(=O)n(C)c3ncccc23)C[C@@H]2c3ccc(OCCN(C)C)cc3CN12.
What is the InChIKey of 4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one?
The InChIKey is JRJGYNKWYMWAOO-UZUQRXQVSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-14-29(22-13-24(31)28(4)25-21(22)6-5-9-26-25)16-23-20-8-7-19(32-11-10-27(2)3)12-18(20)15-30(17)23/h5-9,12-13,17,23H,10-11,14-16H2,1-4H3/t17-,23-/m1/s1.
What are the key properties of 4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one?
4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 433.56 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 164578624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).