4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one

C22H24F2N4O3S — CID 153396251

IUPAC4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILES[2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)CC)cnc2N2CCC3(CC2)CC3(F)F)c2cc[nH]c2c1=O
InChIInChI=1S/C22H24F2N4O3S/c1-3-32(30,31)14-10-16(17-12-27(2)20(29)18-15(17)4-7-25-18)19(26-11-14)28-8-5-21(6-9-28)13-22(21,23)24/h4,7,10-12,25H,3,5-6,8-9,13H2,1-2H3/i2D3
InChIKeyDPCDOPRYFPSWLJ-BMSJAHLVSA-N
MW465.54 g/mol
LogP3.35
Rot. Bonds5

About 4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one

4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 153396251) has the molecular formula C22H24F2N4O3S and a molecular weight of 465.54 g/mol. Its IUPAC name is 4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID153396251
Molecular FormulaC22H24F2N4O3S
Molecular Weight465.54 g/mol
Exact Mass465.17
IUPAC Name4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILES[2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)CC)cnc2N2CCC3(CC2)CC3(F)F)c2cc[nH]c2c1=O
InChIInChI=1S/C22H24F2N4O3S/c1-3-32(30,31)14-10-16(17-12-27(2)20(29)18-15(17)4-7-25-18)19(26-11-14)28-8-5-21(6-9-28)13-22(21,23)24/h4,7,10-12,25H,3,5-6,8-9,13H2,1-2H3/i2D3
InChIKeyDPCDOPRYFPSWLJ-BMSJAHLVSA-N
XLogP3.35
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Related Compounds

6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-N-propan-2-ylpyridine-3-sulfonamide
CID 153396336
4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonylphenyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 153396258
4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-4-fluoro-5-methylsulfonylphenyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 153396309
4-(5-azaspiro[2.4]heptan-5-yl)-3-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzenesulfonamide
CID 153396320
4-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 146326626
4-[2-(6-azaspiro[2.5]octan-6-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 153396323
4-[2-(2-azaspiro[3.3]heptan-2-yl)-5-methylsulfonylphenyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 153396305
4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 146326625
6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 153396311
6-ethylsulfonyl-2,2,4-trimethyl-8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,4-benzoxazin-3-one
CID 118467754
4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172783531
4-[2-(cyclohexylamino)-5-(methylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135227144

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (CID 153396251) is 4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is [2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)CC)cnc2N2CCC3(CC2)CC3(F)F)c2cc[nH]c2c1=O.
What is the InChIKey of 4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is DPCDOPRYFPSWLJ-BMSJAHLVSA-N. The full InChI is InChI=1S/C22H24F2N4O3S/c1-3-32(30,31)14-10-16(17-12-27(2)20(29)18-15(17)4-7-25-18)19(26-11-14)28-8-5-21(6-9-28)13-22(21,23)24/h4,7,10-12,25H,3,5-6,8-9,13H2,1-2H3/i2D3.
What are the key properties of 4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 465.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethylsulfonyl-3-pyridinyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 153396251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).