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

C24H19Cl3N2O2 — CID 10254284

IUPAC1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N
InChIInChI=1S/C24H19Cl3N2O2/c1-24(2,3)22(30)21-19(28)17-11-16(12-4-6-13(25)7-5-12)20(29-23(17)31-21)15-9-8-14(26)10-18(15)27/h4-11H,28H2,1-3H3
InChIKeyZBQRPVYKKFQYEU-UHFFFAOYSA-N
MW473.79 g/mol
LogP7.93
Rot. Bonds3

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

1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 10254284) has the molecular formula C24H19Cl3N2O2 and a molecular weight of 473.79 g/mol. Its IUPAC name is 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID10254284
Molecular FormulaC24H19Cl3N2O2
Molecular Weight473.79 g/mol
Exact Mass472.05
IUPAC Name1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N
InChIInChI=1S/C24H19Cl3N2O2/c1-24(2,3)22(30)21-19(28)17-11-16(12-4-6-13(25)7-5-12)20(29-23(17)31-21)15-9-8-14(26)10-18(15)27/h4-11H,28H2,1-3H3
InChIKeyZBQRPVYKKFQYEU-UHFFFAOYSA-N
XLogP7.93
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.79
LogP ≤ 57.93
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]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one (CID 10254284) is 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=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]-2,2-dimethylpropan-1-one?
The InChIKey is ZBQRPVYKKFQYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl3N2O2/c1-24(2,3)22(30)21-19(28)17-11-16(12-4-6-13(25)7-5-12)20(29-23(17)31-21)15-9-8-14(26)10-18(15)27/h4-11H,28H2,1-3H3.
What are the key properties of 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?
1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 473.79 g/mol, XLogP of 7.93, 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]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 10254284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).