1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone

C21H13Cl3N2O2 — CID 10410512

IUPAC1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N
InChIInChI=1S/C21H13Cl3N2O2/c1-10(27)20-18(25)16-9-15(11-2-4-12(22)5-3-11)19(26-21(16)28-20)14-7-6-13(23)8-17(14)24/h2-9H,25H2,1H3
InChIKeyILRZJJOUTMEDRK-UHFFFAOYSA-N
MW431.71 g/mol
LogP6.91
Rot. Bonds3

About 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone

1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone (PubChem CID 10410512) has the molecular formula C21H13Cl3N2O2 and a molecular weight of 431.71 g/mol. Its IUPAC name is 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone
PubChem CID10410512
Molecular FormulaC21H13Cl3N2O2
Molecular Weight431.71 g/mol
Exact Mass430.00
IUPAC Name1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N
InChIInChI=1S/C21H13Cl3N2O2/c1-10(27)20-18(25)16-9-15(11-2-4-12(22)5-3-11)19(26-21(16)28-20)14-7-6-13(23)8-17(14)24/h2-9H,25H2,1H3
InChIKeyILRZJJOUTMEDRK-UHFFFAOYSA-N
XLogP6.91
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.71
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone (CID 10410512) is 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone is CC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N.
What is the InChIKey of 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone?
The InChIKey is ILRZJJOUTMEDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3N2O2/c1-10(27)20-18(25)16-9-15(11-2-4-12(22)5-3-11)19(26-21(16)28-20)14-7-6-13(23)8-17(14)24/h2-9H,25H2,1H3.
What are the key properties of 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone?
1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone has a molecular weight of 431.71 g/mol, XLogP of 6.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 10410512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).