4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one

C25H25N5O3S — CID 58901784

IUPAC4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(/C=C/c3cnc(Nc4ccc(S(=O)(=O)C5CCNCC5)cc4)nc3)cccc2N1
InChIInChI=1S/C25H25N5O3S/c31-24-14-22-18(2-1-3-23(22)30-24)5-4-17-15-27-25(28-16-17)29-19-6-8-20(9-7-19)34(32,33)21-10-12-26-13-11-21/h1-9,15-16,21,26H,10-14H2,(H,30,31)(H,27,28,29)/b5-4+
InChIKeyOYODXLGZRHCFOJ-SNAWJCMRSA-N
MW475.57 g/mol
LogP3.41
Rot. Bonds6

About 4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one

4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one (PubChem CID 58901784) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one
PubChem CID58901784
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(/C=C/c3cnc(Nc4ccc(S(=O)(=O)C5CCNCC5)cc4)nc3)cccc2N1
InChIInChI=1S/C25H25N5O3S/c31-24-14-22-18(2-1-3-23(22)30-24)5-4-17-15-27-25(28-16-17)29-19-6-8-20(9-7-19)34(32,33)21-10-12-26-13-11-21/h1-9,15-16,21,26H,10-14H2,(H,30,31)(H,27,28,29)/b5-4+
InChIKeyOYODXLGZRHCFOJ-SNAWJCMRSA-N
XLogP3.41
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one (CID 58901784) is 4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one is O=C1Cc2c(/C=C/c3cnc(Nc4ccc(S(=O)(=O)C5CCNCC5)cc4)nc3)cccc2N1.
What is the InChIKey of 4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one?
The InChIKey is OYODXLGZRHCFOJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C25H25N5O3S/c31-24-14-22-18(2-1-3-23(22)30-24)5-4-17-15-27-25(28-16-17)29-19-6-8-20(9-7-19)34(32,33)21-10-12-26-13-11-21/h1-9,15-16,21,26H,10-14H2,(H,30,31)(H,27,28,29)/b5-4+.
What are the key properties of 4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one?
4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one has a molecular weight of 475.57 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 58901784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).