5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid

C15H13N3O5S — CID 67538833

IUPAC5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid
SMILESCc1nc(Oc2ccc3c(ccn3C(=O)O)c2)cc(S(C)(=O)=O)n1
InChIInChI=1S/C15H13N3O5S/c1-9-16-13(8-14(17-9)24(2,21)22)23-11-3-4-12-10(7-11)5-6-18(12)15(19)20/h3-8H,1-2H3,(H,19,20)
InChIKeySIXYEWDPZLHIRN-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.46
Rot. Bonds3

About 5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid

5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid (PubChem CID 67538833) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is 5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid.

Molecular Properties

Compound Name5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid
PubChem CID67538833
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC Name5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid
SMILESCc1nc(Oc2ccc3c(ccn3C(=O)O)c2)cc(S(C)(=O)=O)n1
InChIInChI=1S/C15H13N3O5S/c1-9-16-13(8-14(17-9)24(2,21)22)23-11-3-4-12-10(7-11)5-6-18(12)15(19)20/h3-8H,1-2H3,(H,19,20)
InChIKeySIXYEWDPZLHIRN-UHFFFAOYSA-N
XLogP2.46
TPSA111.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxyindole-1-carboxylic acid
CID 68566461
5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
CID 67538335
5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
CID 67535151
5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid
CID 71149256
5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
CID 21054849
5-(5-methylsulfonyloxypentyl)indole-1-carboxylic acid
CID 18679444
5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid
CID 71183030
5-methoxy-N-(4-methoxyphenyl)indole-1-carboxamide
CID 173299571
5-(difluoromethyl)indole-1-carboxylic acid
CID 163364868
N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide
CID 118097381
N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394094
[6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid
CID 69316750

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid?
The IUPAC name of 5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid (CID 67538833) is 5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid.
What is the SMILES notation for 5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid?
The canonical SMILES for 5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid is Cc1nc(Oc2ccc3c(ccn3C(=O)O)c2)cc(S(C)(=O)=O)n1.
What is the InChIKey of 5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid?
The InChIKey is SIXYEWDPZLHIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c1-9-16-13(8-14(17-9)24(2,21)22)23-11-3-4-12-10(7-11)5-6-18(12)15(19)20/h3-8H,1-2H3,(H,19,20).
What are the key properties of 5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid?
5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid has a molecular weight of 347.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid is sourced from PubChem (CID 67538833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).