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

C21H25N5O3S — CID 153396317

IUPAC6-(6-azaspiro[2.5]octan-6-yl)-N-methyl-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide
SMILES[2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)NC)cnc2N2CCC3(CC2)CC3)c2cc[nH]c2c1=O
InChIInChI=1S/C21H25N5O3S/c1-22-30(28,29)14-11-16(17-13-25(2)20(27)18-15(17)3-8-23-18)19(24-12-14)26-9-6-21(4-5-21)7-10-26/h3,8,11-13,22-23H,4-7,9-10H2,1-2H3/i2D3
InChIKeyUJXLWKXMFKQAPI-BMSJAHLVSA-N
MW430.55 g/mol
LogP2.22
Rot. Bonds5

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

6-(6-azaspiro[2.5]octan-6-yl)-N-methyl-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide (PubChem CID 153396317) has the molecular formula C21H25N5O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is 6-(6-azaspiro[2.5]octan-6-yl)-N-methyl-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)-N-methyl-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide
PubChem CID153396317
Molecular FormulaC21H25N5O3S
Molecular Weight430.55 g/mol
Exact Mass430.19
IUPAC Name6-(6-azaspiro[2.5]octan-6-yl)-N-methyl-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide
SMILES[2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)NC)cnc2N2CCC3(CC2)CC3)c2cc[nH]c2c1=O
InChIInChI=1S/C21H25N5O3S/c1-22-30(28,29)14-11-16(17-13-25(2)20(27)18-15(17)3-8-23-18)19(24-12-14)26-9-6-21(4-5-21)7-10-26/h3,8,11-13,22-23H,4-7,9-10H2,1-2H3/i2D3
InChIKeyUJXLWKXMFKQAPI-BMSJAHLVSA-N
XLogP2.22
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-azaspiro[2.5]octan-6-yl)-N-methyl-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)-N-methyl-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide (CID 153396317) is 6-(6-azaspiro[2.5]octan-6-yl)-N-methyl-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)-N-methyl-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)-N-methyl-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide is [2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)NC)cnc2N2CCC3(CC2)CC3)c2cc[nH]c2c1=O.
What is the InChIKey of 6-(6-azaspiro[2.5]octan-6-yl)-N-methyl-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide?
The InChIKey is UJXLWKXMFKQAPI-BMSJAHLVSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-22-30(28,29)14-11-16(17-13-25(2)20(27)18-15(17)3-8-23-18)19(24-12-14)26-9-6-21(4-5-21)7-10-26/h3,8,11-13,22-23H,4-7,9-10H2,1-2H3/i2D3.
What are the key properties of 6-(6-azaspiro[2.5]octan-6-yl)-N-methyl-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide?
6-(6-azaspiro[2.5]octan-6-yl)-N-methyl-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide has a molecular weight of 430.55 g/mol, XLogP of 2.22, 5 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)-N-methyl-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 153396317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).