3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione

C26H17N3O4 — CID 135435911

IUPAC3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1C(C2=NC(c3ccccn3)C3C(=O)N(c4ccccc4)C(=O)C23)=C(O)c2ccccc21
InChIInChI=1S/C26H17N3O4/c30-23-15-10-4-5-11-16(15)24(31)20(23)22-19-18(21(28-22)17-12-6-7-13-27-17)25(32)29(26(19)33)14-8-2-1-3-9-14/h1-13,18-19,21,30H
InChIKeyHWRDKBQDANQECX-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.55
Rot. Bonds3

About 3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione

3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 135435911) has the molecular formula C26H17N3O4 and a molecular weight of 435.44 g/mol. Its IUPAC name is 3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID135435911
Molecular FormulaC26H17N3O4
Molecular Weight435.44 g/mol
Exact Mass435.12
IUPAC Name3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1C(C2=NC(c3ccccn3)C3C(=O)N(c4ccccc4)C(=O)C23)=C(O)c2ccccc21
InChIInChI=1S/C26H17N3O4/c30-23-15-10-4-5-11-16(15)24(31)20(23)22-19-18(21(28-22)17-12-6-7-13-27-17)25(32)29(26(19)33)14-8-2-1-3-9-14/h1-13,18-19,21,30H
InChIKeyHWRDKBQDANQECX-UHFFFAOYSA-N
XLogP3.55
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (CID 135435911) is 3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione is O=C1C(C2=NC(c3ccccn3)C3C(=O)N(c4ccccc4)C(=O)C23)=C(O)c2ccccc21.
What is the InChIKey of 3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is HWRDKBQDANQECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O4/c30-23-15-10-4-5-11-16(15)24(31)20(23)22-19-18(21(28-22)17-12-6-7-13-27-17)25(32)29(26(19)33)14-8-2-1-3-9-14/h1-13,18-19,21,30H.
What are the key properties of 3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 435.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-3-oxoinden-2-yl)-5-phenyl-1-pyridin-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 135435911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).