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

C22H15Cl3N2O2 — CID 10433670

IUPAC1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one
SMILESCCC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N
InChIInChI=1S/C22H15Cl3N2O2/c1-2-18(28)21-19(26)16-10-15(11-3-5-12(23)6-4-11)20(27-22(16)29-21)14-8-7-13(24)9-17(14)25/h3-10H,2,26H2,1H3
InChIKeyIQHYUQQDFXJXRD-UHFFFAOYSA-N
MW445.73 g/mol
LogP7.30
Rot. Bonds4

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

1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one (PubChem CID 10433670) has the molecular formula C22H15Cl3N2O2 and a molecular weight of 445.73 g/mol. Its IUPAC name is 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one
PubChem CID10433670
Molecular FormulaC22H15Cl3N2O2
Molecular Weight445.73 g/mol
Exact Mass444.02
IUPAC Name1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one
SMILESCCC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N
InChIInChI=1S/C22H15Cl3N2O2/c1-2-18(28)21-19(26)16-10-15(11-3-5-12(23)6-4-11)20(27-22(16)29-21)14-8-7-13(24)9-17(14)25/h3-10H,2,26H2,1H3
InChIKeyIQHYUQQDFXJXRD-UHFFFAOYSA-N
XLogP7.30
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.73
LogP ≤ 57.30
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]propan-1-one?
The IUPAC name of 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one (CID 10433670) is 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]propan-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]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one is CCC(=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]propan-1-one?
The InChIKey is IQHYUQQDFXJXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3N2O2/c1-2-18(28)21-19(26)16-10-15(11-3-5-12(23)6-4-11)20(27-22(16)29-21)14-8-7-13(24)9-17(14)25/h3-10H,2,26H2,1H3.
What are the key properties of 1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one?
1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one has a molecular weight of 445.73 g/mol, XLogP of 7.30, 4 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]propan-1-one is sourced from PubChem (CID 10433670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).