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

C25H30N4O4S — CID 153396323

IUPAC4-[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
SMILES[2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)N3CC[C@@H](O)C3)ccc2N2CCC3(CC2)CC3)c2cc[nH]c2c1=O
InChIInChI=1S/C25H30N4O4S/c1-27-16-21(19-4-10-26-23(19)24(27)31)20-14-18(34(32,33)29-11-5-17(30)15-29)2-3-22(20)28-12-8-25(6-7-25)9-13-28/h2-4,10,14,16-17,26,30H,5-9,11-13,15H2,1H3/t17-/m1/s1/i1D3
InChIKeyWXWWTAADHUWVOH-JCNGFBMWSA-N
MW485.62 g/mol
LogP2.67
Rot. Bonds5

About 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

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 (PubChem CID 153396323) has the molecular formula C25H30N4O4S and a molecular weight of 485.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID153396323
Molecular FormulaC25H30N4O4S
Molecular Weight485.62 g/mol
Exact Mass485.22
IUPAC Name4-[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
SMILES[2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)N3CC[C@@H](O)C3)ccc2N2CCC3(CC2)CC3)c2cc[nH]c2c1=O
InChIInChI=1S/C25H30N4O4S/c1-27-16-21(19-4-10-26-23(19)24(27)31)20-14-18(34(32,33)29-11-5-17(30)15-29)2-3-22(20)28-12-8-25(6-7-25)9-13-28/h2-4,10,14,16-17,26,30H,5-9,11-13,15H2,1H3/t17-/m1/s1/i1D3
InChIKeyWXWWTAADHUWVOH-JCNGFBMWSA-N
XLogP2.67
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.62
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)N3CC[C@@H](O)C3)ccc2N2CCC3(CC2)CC3)c2cc[nH]c2c1=O.
What is the InChIKey of 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?
The InChIKey is WXWWTAADHUWVOH-JCNGFBMWSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-27-16-21(19-4-10-26-23(19)24(27)31)20-14-18(34(32,33)29-11-5-17(30)15-29)2-3-22(20)28-12-8-25(6-7-25)9-13-28/h2-4,10,14,16-17,26,30H,5-9,11-13,15H2,1H3/t17-/m1/s1/i1D3.
What are the key properties of 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?
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 has a molecular weight of 485.62 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153396323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).