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

C23H29N5O3S — CID 153396336

IUPAC6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILES[2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)NC(C)C)cnc2N2CCC3(CC2)CC3)c2cc[nH]c2c1=O
InChIInChI=1S/C23H29N5O3S/c1-15(2)26-32(30,31)16-12-18(19-14-27(3)22(29)20-17(19)4-9-24-20)21(25-13-16)28-10-7-23(5-6-23)8-11-28/h4,9,12-15,24,26H,5-8,10-11H2,1-3H3/i3D3
InChIKeyAPSFXDCDACSBJG-HPRDVNIFSA-N
MW458.60 g/mol
LogP3.00
Rot. Bonds6

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

6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 153396336) has the molecular formula C23H29N5O3S and a molecular weight of 458.60 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]-N-propan-2-ylpyridine-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]-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID153396336
Molecular FormulaC23H29N5O3S
Molecular Weight458.60 g/mol
Exact Mass458.22
IUPAC Name6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILES[2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)NC(C)C)cnc2N2CCC3(CC2)CC3)c2cc[nH]c2c1=O
InChIInChI=1S/C23H29N5O3S/c1-15(2)26-32(30,31)16-12-18(19-14-27(3)22(29)20-17(19)4-9-24-20)21(25-13-16)28-10-7-23(5-6-23)8-11-28/h4,9,12-15,24,26H,5-8,10-11H2,1-3H3/i3D3
InChIKeyAPSFXDCDACSBJG-HPRDVNIFSA-N
XLogP3.00
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 53.00
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]-N-propan-2-ylpyridine-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]-N-propan-2-ylpyridine-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]-N-propan-2-ylpyridine-3-sulfonamide (CID 153396336) is 6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-N-propan-2-ylpyridine-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]-N-propan-2-ylpyridine-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]-N-propan-2-ylpyridine-3-sulfonamide is [2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)NC(C)C)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]-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is APSFXDCDACSBJG-HPRDVNIFSA-N. The full InChI is InChI=1S/C23H29N5O3S/c1-15(2)26-32(30,31)16-12-18(19-14-27(3)22(29)20-17(19)4-9-24-20)21(25-13-16)28-10-7-23(5-6-23)8-11-28/h4,9,12-15,24,26H,5-8,10-11H2,1-3H3/i3D3.
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]-N-propan-2-ylpyridine-3-sulfonamide?
6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 458.60 g/mol, XLogP of 3.00, 6 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]-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 153396336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).