2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide

C23H24N4O3 — CID 144869142

IUPAC2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCC(C)N1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccc3)cn1)CCC2
InChIInChI=1S/C23H24N4O3/c1-15(2)27-22(29)18-9-6-12-26(21(18)23(27)30)14-20(28)25-19-11-10-17(13-24-19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12,14H2,1-2H3,(H,24,25,28)
InChIKeyMRKXSGNINIOUMM-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.81
Rot. Bonds5

About 2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide

2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide (PubChem CID 144869142) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
PubChem CID144869142
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCC(C)N1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccc3)cn1)CCC2
InChIInChI=1S/C23H24N4O3/c1-15(2)27-22(29)18-9-6-12-26(21(18)23(27)30)14-20(28)25-19-11-10-17(13-24-19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12,14H2,1-2H3,(H,24,25,28)
InChIKeyMRKXSGNINIOUMM-UHFFFAOYSA-N
XLogP2.81
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide (CID 144869142) is 2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide is CC(C)N1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccc3)cn1)CCC2.
What is the InChIKey of 2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide?
The InChIKey is MRKXSGNINIOUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15(2)27-22(29)18-9-6-12-26(21(18)23(27)30)14-20(28)25-19-11-10-17(13-24-19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12,14H2,1-2H3,(H,24,25,28).
What are the key properties of 2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide?
2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 144869142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).