6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one

C20H18FN5O4 — CID 166011764

IUPAC6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one
SMILES[2H]C([2H])(F)C([2H])([2H])Oc1ccc(COc2cnc3c(c2)CN(c2ccc(=O)n(C)n2)C3=O)nc1
InChIInChI=1S/C20H18FN5O4/c1-25-18(27)5-4-17(24-25)26-11-13-8-16(10-23-19(13)20(26)28)30-12-14-2-3-15(9-22-14)29-7-6-21/h2-5,8-10H,6-7,11-12H2,1H3/i6D2,7D2
InChIKeyYJJQUFMZTNEEON-KXGHAPEVSA-N
MW415.42 g/mol
LogP1.66
Rot. Bonds7

About 6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one

6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 166011764) has the molecular formula C20H18FN5O4 and a molecular weight of 415.42 g/mol. Its IUPAC name is 6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID166011764
Molecular FormulaC20H18FN5O4
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC Name6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one
SMILES[2H]C([2H])(F)C([2H])([2H])Oc1ccc(COc2cnc3c(c2)CN(c2ccc(=O)n(C)n2)C3=O)nc1
InChIInChI=1S/C20H18FN5O4/c1-25-18(27)5-4-17(24-25)26-11-13-8-16(10-23-19(13)20(26)28)30-12-14-2-3-15(9-22-14)29-7-6-21/h2-5,8-10H,6-7,11-12H2,1H3/i6D2,7D2
InChIKeyYJJQUFMZTNEEON-KXGHAPEVSA-N
XLogP1.66
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one with MolForge

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Related Compounds

CID 165406400
CID 165406400
6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one
CID 165406380
[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]-3-pyridinyl] sulfite
CID 165406481
5-[(6-fluoro-5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one
CID 165406376
dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate
CID 174189987
5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one
CID 165406387
2-methyl-6-[5-[(5-propoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridazin-3-one
CID 155091413
tert-butyl 2-[2-[2-[[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]acetate
CID 155074537
5-[(4-fluoro-5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one
CID 167650738
2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one
CID 118905318
2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one
CID 175802908
[1,1,2,2-tetradeuterio-2-[[6-[[2-(6-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]oxy]ethyl] 4-methylbenzenesulfonate
CID 166038663

Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one (CID 166011764) is 6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one is [2H]C([2H])(F)C([2H])([2H])Oc1ccc(COc2cnc3c(c2)CN(c2ccc(=O)n(C)n2)C3=O)nc1.
What is the InChIKey of 6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is YJJQUFMZTNEEON-KXGHAPEVSA-N. The full InChI is InChI=1S/C20H18FN5O4/c1-25-18(27)5-4-17(24-25)26-11-13-8-16(10-23-19(13)20(26)28)30-12-14-2-3-15(9-22-14)29-7-6-21/h2-5,8-10H,6-7,11-12H2,1H3/i6D2,7D2.
What are the key properties of 6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one?
6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one has a molecular weight of 415.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 166011764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).