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

C18H13Cl2N3O2 — CID 22582112

IUPAC7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(Nc2ccc(Cl)cc2Cl)N1Cc1ccco1
InChIInChI=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
InChIKeyGIWXWDDCRLTESU-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.75
Rot. Bonds4

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 Name7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID22582112
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Name7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(Nc2ccc(Cl)cc2Cl)N1Cc1ccco1
InChIInChI=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
InChIKeyGIWXWDDCRLTESU-UHFFFAOYSA-N
XLogP4.75
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).