(3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate

C16H14N4O5S — CID 91030382

IUPAC(3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate
SMILESCc1ncncc1C(=O)On1cc(C(N)=O)c2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C16H14N4O5S/c1-9-12(6-18-8-19-9)16(22)25-20-7-13(15(17)21)11-5-10(26(2,23)24)3-4-14(11)20/h3-8H,1-2H3,(H2,17,21)
InChIKeyUVOWEQRURVKOJJ-UHFFFAOYSA-N
MW374.38 g/mol
LogP0.51
Rot. Bonds4

About (3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate

(3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate (PubChem CID 91030382) has the molecular formula C16H14N4O5S and a molecular weight of 374.38 g/mol. Its IUPAC name is (3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Name(3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate
PubChem CID91030382
Molecular FormulaC16H14N4O5S
Molecular Weight374.38 g/mol
Exact Mass374.07
IUPAC Name(3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate
SMILESCc1ncncc1C(=O)On1cc(C(N)=O)c2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C16H14N4O5S/c1-9-12(6-18-8-19-9)16(22)25-20-7-13(15(17)21)11-5-10(26(2,23)24)3-4-14(11)20/h3-8H,1-2H3,(H2,17,21)
InChIKeyUVOWEQRURVKOJJ-UHFFFAOYSA-N
XLogP0.51
TPSA134.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate?
The IUPAC name of (3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate (CID 91030382) is (3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for (3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate?
The canonical SMILES for (3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate is Cc1ncncc1C(=O)On1cc(C(N)=O)c2cc(S(C)(=O)=O)ccc21.
What is the InChIKey of (3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate?
The InChIKey is UVOWEQRURVKOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5S/c1-9-12(6-18-8-19-9)16(22)25-20-7-13(15(17)21)11-5-10(26(2,23)24)3-4-14(11)20/h3-8H,1-2H3,(H2,17,21).
What are the key properties of (3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate?
(3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate has a molecular weight of 374.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 91030382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).