[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone

C25H15Cl2N3O2 — CID 91573726

IUPAC[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone
SMILESNc1c(C(=O)c2ccccn2)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H15Cl2N3O2/c26-15-10-8-14(9-11-15)17-13-18-21(28)24(23(31)20-7-3-4-12-29-20)32-25(18)30-22(17)16-5-1-2-6-19(16)27/h1-13H,28H2
InChIKeyGGWFHLJUDKDJMK-UHFFFAOYSA-N
MW460.32 g/mol
LogP6.68
Rot. Bonds4

About [3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone

[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone (PubChem CID 91573726) has the molecular formula C25H15Cl2N3O2 and a molecular weight of 460.32 g/mol. Its IUPAC name is [3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone
PubChem CID91573726
Molecular FormulaC25H15Cl2N3O2
Molecular Weight460.32 g/mol
Exact Mass459.05
IUPAC Name[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone
SMILESNc1c(C(=O)c2ccccn2)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H15Cl2N3O2/c26-15-10-8-14(9-11-15)17-13-18-21(28)24(23(31)20-7-3-4-12-29-20)32-25(18)30-22(17)16-5-1-2-6-19(16)27/h1-13H,28H2
InChIKeyGGWFHLJUDKDJMK-UHFFFAOYSA-N
XLogP6.68
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.32
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone (CID 91573726) is [3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone is Nc1c(C(=O)c2ccccn2)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of [3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone?
The InChIKey is GGWFHLJUDKDJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2N3O2/c26-15-10-8-14(9-11-15)17-13-18-21(28)24(23(31)20-7-3-4-12-29-20)32-25(18)30-22(17)16-5-1-2-6-19(16)27/h1-13H,28H2.
What are the key properties of [3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone?
[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone has a molecular weight of 460.32 g/mol, XLogP of 6.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 91573726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).