(3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate

C20H15N5O5S — CID 91143924

IUPAC(3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate
SMILESCS(=O)(=O)c1ccc2c(c1)c(C(N)=O)cn2OC(=O)c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C20H15N5O5S/c1-31(28,29)14-4-5-17-15(7-14)16(18(21)26)11-25(17)30-20(27)13-9-23-19(24-10-13)12-3-2-6-22-8-12/h2-11H,1H3,(H2,21,26)
InChIKeyCBQRBLGTSWXIKC-UHFFFAOYSA-N
MW437.44 g/mol
LogP1.26
Rot. Bonds5

About (3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate

(3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate (PubChem CID 91143924) has the molecular formula C20H15N5O5S and a molecular weight of 437.44 g/mol. Its IUPAC name is (3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Name(3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate
PubChem CID91143924
Molecular FormulaC20H15N5O5S
Molecular Weight437.44 g/mol
Exact Mass437.08
IUPAC Name(3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate
SMILESCS(=O)(=O)c1ccc2c(c1)c(C(N)=O)cn2OC(=O)c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C20H15N5O5S/c1-31(28,29)14-4-5-17-15(7-14)16(18(21)26)11-25(17)30-20(27)13-9-23-19(24-10-13)12-3-2-6-22-8-12/h2-11H,1H3,(H2,21,26)
InChIKeyCBQRBLGTSWXIKC-UHFFFAOYSA-N
XLogP1.26
TPSA147.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(3-carbamoyl-5-methylsulfonylindol-1-yl) 4-methylpyrimidine-5-carboxylate
CID 91030382
(3-carbamoyl-5-methoxyindol-1-yl) 2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxylate
CID 90946247
(3-carbamoyl-5-fluoro-2-methylindol-1-yl) 4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 91039544
3-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 53406635
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 2-chloro-5-methylsulfonylbenzoate
CID 55488895
ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate
CID 10499452
ethyl 8-ethyl-5-oxo-2-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847896
1-methoxypyrrolo[2,3-c]pyridine-3,5-dicarboxamide
CID 68942527
2-ethoxy-4-pyridin-3-ylbenzamide
CID 155568101
8-fluoro-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide
CID 46225246
N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide
CID 72890935
2-fluoro-4-methyl-3-pyridin-3-ylbenzamide
CID 155144897

Frequently Asked Questions

What is the IUPAC name of (3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate?
The IUPAC name of (3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate (CID 91143924) is (3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate.
What is the SMILES notation for (3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate?
The canonical SMILES for (3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate is CS(=O)(=O)c1ccc2c(c1)c(C(N)=O)cn2OC(=O)c1cnc(-c2cccnc2)nc1.
What is the InChIKey of (3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate?
The InChIKey is CBQRBLGTSWXIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O5S/c1-31(28,29)14-4-5-17-15(7-14)16(18(21)26)11-25(17)30-20(27)13-9-23-19(24-10-13)12-3-2-6-22-8-12/h2-11H,1H3,(H2,21,26).
What are the key properties of (3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate?
(3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate has a molecular weight of 437.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-5-methylsulfonylindol-1-yl) 2-pyridin-3-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 91143924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).