6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide

C23H26N4O4S — CID 153396311

IUPAC6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILES[2H]C([2H])([2H])n1cc(-c2cc(S(C)(=O)=O)ccc2N2CCC3(CC2)CC3C(N)=O)c2cc[nH]c2c1=O
InChIInChI=1S/C23H26N4O4S/c1-26-13-17(15-5-8-25-20(15)22(26)29)16-11-14(32(2,30)31)3-4-19(16)27-9-6-23(7-10-27)12-18(23)21(24)28/h3-5,8,11,13,18,25H,6-7,9-10,12H2,1-2H3,(H2,24,28)/i1D3
InChIKeyQUHTUAUTNGJVOQ-FIBGUPNXSA-N
MW457.57 g/mol
LogP2.03
Rot. Bonds5

About 6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide

6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 153396311) has the molecular formula C23H26N4O4S and a molecular weight of 457.57 g/mol. Its IUPAC name is 6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID153396311
Molecular FormulaC23H26N4O4S
Molecular Weight457.57 g/mol
Exact Mass457.19
IUPAC Name6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILES[2H]C([2H])([2H])n1cc(-c2cc(S(C)(=O)=O)ccc2N2CCC3(CC2)CC3C(N)=O)c2cc[nH]c2c1=O
InChIInChI=1S/C23H26N4O4S/c1-26-13-17(15-5-8-25-20(15)22(26)29)16-11-14(32(2,30)31)3-4-19(16)27-9-6-23(7-10-27)12-18(23)21(24)28/h3-5,8,11,13,18,25H,6-7,9-10,12H2,1-2H3,(H2,24,28)/i1D3
InChIKeyQUHTUAUTNGJVOQ-FIBGUPNXSA-N
XLogP2.03
TPSA118.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 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) is 6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide is [2H]C([2H])([2H])n1cc(-c2cc(S(C)(=O)=O)ccc2N2CCC3(CC2)CC3C(N)=O)c2cc[nH]c2c1=O.
What is the InChIKey of 6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is QUHTUAUTNGJVOQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-26-13-17(15-5-8-25-20(15)22(26)29)16-11-14(32(2,30)31)3-4-19(16)27-9-6-23(7-10-27)12-18(23)21(24)28/h3-5,8,11,13,18,25H,6-7,9-10,12H2,1-2H3,(H2,24,28)/i1D3.
What are the key properties of 6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide?
6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methylsulfonyl-2-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 153396311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).