N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide

C23H21N5O5S — CID 46185728

About N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide

N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide (PubChem CID 46185728) has the molecular formula C23H21N5O5S and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide
• PubChem CID: 46185728
• Molecular Formula: C23H21N5O5S
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.19
• IUPAC Name: N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide
• SMILES: [2H]c1c([2H])c([2H])c(Oc2c(NS(=O)(=O)c3ccc(C([2H])([2H])[2H])cn3)nc(-c3ccncc3)nc2OC([2H])([2H])[2H])c(OC)c1[2H]
• InChI: InChI=1S/C23H21N5O5S/c1-15-8-9-19(25-14-15)34(29,30)28-22-20(33-18-7-5-4-6-17(18)31-2)23(32-3)27-21(26-22)16-10-12-24-13-11-16/h4-14H,1-3H3,(H,26,27,28)/i1D3,3D3,4D,5D,6D,7D
• InChIKey: YBWLTKFZAOSWSM-FDUWPBATSA-N
• XLogP: 3.85
• TPSA: 125.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide?

The IUPAC name of N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide (CID 46185728) is N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide.

What is the SMILES notation for N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide?

The canonical SMILES for N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide is [2H]c1c([2H])c([2H])c(Oc2c(NS(=O)(=O)c3ccc(C([2H])([2H])[2H])cn3)nc(-c3ccncc3)nc2OC([2H])([2H])[2H])c(OC)c1[2H].

What is the InChIKey of N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide?

The InChIKey is YBWLTKFZAOSWSM-FDUWPBATSA-N. The full InChI is InChI=1S/C23H21N5O5S/c1-15-8-9-19(25-14-15)34(29,30)28-22-20(33-18-7-5-4-6-17(18)31-2)23(32-3)27-21(26-22)16-10-12-24-13-11-16/h4-14H,1-3H3,(H,26,27,28)/i1D3,3D3,4D,5D,6D,7D.

What are the key properties of N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide?

N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide has a molecular weight of 489.58 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-pyridin-4-yl-5-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 46185728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).