6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide

C20H23N5O3S — CID 153396333

IUPAC6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide
SMILES[2H]C([2H])([2H])n1cc(-c2cc(S(N)(=O)=O)cnc2N2CCC3(CC2)CC3)c2cc[nH]c2c1=O
InChIInChI=1S/C20H23N5O3S/c1-24-12-16(14-2-7-22-17(14)19(24)26)15-10-13(29(21,27)28)11-23-18(15)25-8-5-20(3-4-20)6-9-25/h2,7,10-12,22H,3-6,8-9H2,1H3,(H2,21,27,28)/i1D3
InChIKeyQJSAVJULOPQLOC-FIBGUPNXSA-N
MW416.52 g/mol
LogP1.96
Rot. Bonds4

About 6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide

6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide (PubChem CID 153396333) has the molecular formula C20H23N5O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is 6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide
PubChem CID153396333
Molecular FormulaC20H23N5O3S
Molecular Weight416.52 g/mol
Exact Mass416.17
IUPAC Name6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide
SMILES[2H]C([2H])([2H])n1cc(-c2cc(S(N)(=O)=O)cnc2N2CCC3(CC2)CC3)c2cc[nH]c2c1=O
InChIInChI=1S/C20H23N5O3S/c1-24-12-16(14-2-7-22-17(14)19(24)26)15-10-13(29(21,27)28)11-23-18(15)25-8-5-20(3-4-20)6-9-25/h2,7,10-12,22H,3-6,8-9H2,1H3,(H2,21,27,28)/i1D3
InChIKeyQJSAVJULOPQLOC-FIBGUPNXSA-N
XLogP1.96
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide (CID 153396333) is 6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide is [2H]C([2H])([2H])n1cc(-c2cc(S(N)(=O)=O)cnc2N2CCC3(CC2)CC3)c2cc[nH]c2c1=O.
What is the InChIKey of 6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide?
The InChIKey is QJSAVJULOPQLOC-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-24-12-16(14-2-7-22-17(14)19(24)26)15-10-13(29(21,27)28)11-23-18(15)25-8-5-20(3-4-20)6-9-25/h2,7,10-12,22H,3-6,8-9H2,1H3,(H2,21,27,28)/i1D3.
What are the key properties of 6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide?
6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide has a molecular weight of 416.52 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 153396333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).