6-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide

C19H21N5O3S — CID 153396285

IUPAC6-(5-azaspiro[2.4]heptan-5-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(CC3)C2)c2cc[nH]c2c1=O
InChIInChI=1S/C19H21N5O3S/c1-23-10-15(13-2-6-21-16(13)18(23)25)14-8-12(28(20,26)27)9-22-17(14)24-7-5-19(11-24)3-4-19/h2,6,8-10,21H,3-5,7,11H2,1H3,(H2,20,26,27)/i1D3
InChIKeyAZWUAOORBSAPAR-FIBGUPNXSA-N
MW402.49 g/mol
LogP1.57
Rot. Bonds4

About 6-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide

6-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide (PubChem CID 153396285) has the molecular formula C19H21N5O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is 6-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide
PubChem CID153396285
Molecular FormulaC19H21N5O3S
Molecular Weight402.49 g/mol
Exact Mass402.16
IUPAC Name6-(5-azaspiro[2.4]heptan-5-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(CC3)C2)c2cc[nH]c2c1=O
InChIInChI=1S/C19H21N5O3S/c1-23-10-15(13-2-6-21-16(13)18(23)25)14-8-12(28(20,26)27)9-22-17(14)24-7-5-19(11-24)3-4-19/h2,6,8-10,21H,3-5,7,11H2,1H3,(H2,20,26,27)/i1D3
InChIKeyAZWUAOORBSAPAR-FIBGUPNXSA-N
XLogP1.57
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(5-azaspiro[2.4]heptan-5-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-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide (CID 153396285) is 6-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(5-azaspiro[2.4]heptan-5-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(CC3)C2)c2cc[nH]c2c1=O.
What is the InChIKey of 6-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide?
The InChIKey is AZWUAOORBSAPAR-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-23-10-15(13-2-6-21-16(13)18(23)25)14-8-12(28(20,26)27)9-22-17(14)24-7-5-19(11-24)3-4-19/h2,6,8-10,21H,3-5,7,11H2,1H3,(H2,20,26,27)/i1D3.
What are the key properties of 6-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide?
6-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide has a molecular weight of 402.49 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 153396285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).