7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C₁₈H₁₃Cl₂N₃O₂ — CID 22582112

About 7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 22582112) has the molecular formula C₁₈H₁₃Cl₂N₃O₂ and a molecular weight of 374.23 g/mol. Its IUPAC name is 7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 22582112
• Molecular Formula: C₁₈H₁₃Cl₂N₃O₂
• Molecular Weight: 374.23 g/mol
• Exact Mass: 373.04
• IUPAC Name: 7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
• SMILES: O=C1c2cccnc2C(Nc2ccc(Cl)cc2Cl)N1Cc1ccco1
• InChI: InChI=1S/C18H13Cl2N3O2/c19-11-5-6-15(14(20)9-11)22-17-16-13(4-1-7-21-16)18(24)23(17)10-12-3-2-8-25-12/h1-9,17,22H,10H2
• InChIKey: GIWXWDDCRLTESU-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.23
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?

The IUPAC name of 7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 22582112) is 7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

What is the SMILES notation for 7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?

The canonical SMILES for 7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2C(Nc2ccc(Cl)cc2Cl)N1Cc1ccco1.

What is the InChIKey of 7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?

The InChIKey is GIWXWDDCRLTESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c19-11-5-6-15(14(20)9-11)22-17-16-13(4-1-7-21-16)18(24)23(17)10-12-3-2-8-25-12/h1-9,17,22H,10H2.

What are the key properties of 7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?

7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 374.23 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 22582112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 22582112 — identifiers, structure, computed properties (public domain)

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