6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

C24H24N4O4S — CID 23604338

IUPAC6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H24N4O4S/c1-17-4-8-19(9-5-17)28-23(22-21(24(28)29)3-2-12-25-22)26-18-6-10-20(11-7-18)33(30,31)27-13-15-32-16-14-27/h2-12,23,26H,13-16H2,1H3
InChIKeyUTHZLDHSBYLODO-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.18
Rot. Bonds5

About 6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 23604338) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID23604338
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H24N4O4S/c1-17-4-8-19(9-5-17)28-23(22-21(24(28)29)3-2-12-25-22)26-18-6-10-20(11-7-18)33(30,31)27-13-15-32-16-14-27/h2-12,23,26H,13-16H2,1H3
InChIKeyUTHZLDHSBYLODO-UHFFFAOYSA-N
XLogP3.18
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 23604338) is 6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is UTHZLDHSBYLODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-17-4-8-19(9-5-17)28-23(22-21(24(28)29)3-2-12-25-22)26-18-6-10-20(11-7-18)33(30,31)27-13-15-32-16-14-27/h2-12,23,26H,13-16H2,1H3.
What are the key properties of 6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 464.55 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-7-(4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 23604338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).