4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine

C22H27N5O3S — CID 46244259

IUPAC4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CCNCC1
InChIInChI=1S/C22H27N5O3S/c1-31(28,29)22(6-9-23-10-7-22)19-15-20(27-11-13-30-14-12-27)26-21(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,15,23-24H,6-7,9-14H2,1H3
InChIKeyOEVJSSULLRZFHY-UHFFFAOYSA-N
MW441.56 g/mol
LogP2.08
Rot. Bonds4

About 4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine

4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine (PubChem CID 46244259) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine
PubChem CID46244259
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC Name4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CCNCC1
InChIInChI=1S/C22H27N5O3S/c1-31(28,29)22(6-9-23-10-7-22)19-15-20(27-11-13-30-14-12-27)26-21(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,15,23-24H,6-7,9-14H2,1H3
InChIKeyOEVJSSULLRZFHY-UHFFFAOYSA-N
XLogP2.08
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine (CID 46244259) is 4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine is CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CCNCC1.
What is the InChIKey of 4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine?
The InChIKey is OEVJSSULLRZFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-31(28,29)22(6-9-23-10-7-22)19-15-20(27-11-13-30-14-12-27)26-21(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,15,23-24H,6-7,9-14H2,1H3.
What are the key properties of 4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine?
4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine has a molecular weight of 441.56 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 46244259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).