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

C23H21N5O5S — CID 46185231

IUPACN,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide
SMILES[2H]c1nc([2H])c([2H])c(-c2nc(OC([2H])([2H])[2H])c(Oc3c([2H])c([2H])c([2H])c([2H])c3OC([2H])([2H])[2H])c(N([2H])S(=O)(=O)c3nc([2H])c(C([2H])([2H])[2H])c([2H])c3[2H])n2)c1[2H]
InChIInChI=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)/i1D3,2D3,3D3,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D/hD
InChIKeyYBWLTKFZAOSWSM-IKNLITHYSA-N
MW500.65 g/mol
LogP3.85
Rot. Bonds11

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

N,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide (PubChem CID 46185231) has the molecular formula C23H21N5O5S and a molecular weight of 500.65 g/mol. Its IUPAC name is N,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide
PubChem CID46185231
Molecular FormulaC23H21N5O5S
Molecular Weight500.65 g/mol
Exact Mass500.26
IUPAC NameN,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide
SMILES[2H]c1nc([2H])c([2H])c(-c2nc(OC([2H])([2H])[2H])c(Oc3c([2H])c([2H])c([2H])c([2H])c3OC([2H])([2H])[2H])c(N([2H])S(=O)(=O)c3nc([2H])c(C([2H])([2H])[2H])c([2H])c3[2H])n2)c1[2H]
InChIInChI=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)/i1D3,2D3,3D3,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D/hD
InChIKeyYBWLTKFZAOSWSM-IKNLITHYSA-N
XLogP3.85
TPSA125.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide with MolForge

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Related Compounds

N-[6-methoxy-2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2-(trideuteriomethoxy)phenoxy]pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide
CID 46185987
N-[6-methoxy-2-pyridin-4-yl-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
CID 46186758
N-[6-methoxy-2-pyridin-4-yl-5-[2-(trideuteriomethoxy)phenoxy]pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide
CID 46185727
N-[6-methoxy-5-(2-methylphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
CID 71158041
5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide
CID 11569523
4-tert-butyl-N-[2-pyrimidin-2-yl-6-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)-5-[2-(trideuteriomethoxy)phenoxy]pyrimidin-4-yl]benzenesulfonamide
CID 59253435
N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
CID 54011551
4-tert-butyl-N-[6-(1,1-dideuterio-2-hydroxyethoxy)-2-pyrimidin-2-yl-5-[2-(trideuteriomethoxy)phenoxy]pyrimidin-4-yl]benzenesulfonamide
CID 59818114
5-[amino(dihydroxy)methyl]-N-[5-(2-methoxyphenoxy)-2-pyridin-4-yl-6-(trihydroxymethoxy)pyrimidin-4-yl]pyridine-2-sulfonamide
CID 91406255
N-[2-(1-hydroxypyridin-1-ium-4-yl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]methanesulfonamide
CID 135962997
N-[5-(2-methoxyphenoxy)-2-pyridin-4-yl-6-(4-pyrimidin-2-yloxybut-2-ynoxy)pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
CID 10145604
4-[5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxybut-2-ynyl carbamate
CID 142655963

Frequently Asked Questions

What is the IUPAC name of N,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide?
The IUPAC name of N,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide (CID 46185231) is N,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide is [2H]c1nc([2H])c([2H])c(-c2nc(OC([2H])([2H])[2H])c(Oc3c([2H])c([2H])c([2H])c([2H])c3OC([2H])([2H])[2H])c(N([2H])S(=O)(=O)c3nc([2H])c(C([2H])([2H])[2H])c([2H])c3[2H])n2)c1[2H].
What is the InChIKey of N,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide?
The InChIKey is YBWLTKFZAOSWSM-IKNLITHYSA-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)/i1D3,2D3,3D3,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D/hD.
What are the key properties of N,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide?
N,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide has a molecular weight of 500.65 g/mol, XLogP of 3.85, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4,6-tetradeuterio-N-[2-(2,3,5,6-tetradeuterio-4-pyridinyl)-5-[2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenoxy]-6-(trideuteriomethoxy)pyrimidin-4-yl]-5-(trideuteriomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 46185231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).