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

C23H18Cl2N2O3 — CID 10366006

IUPAC1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1N
InChIInChI=1S/C23H18Cl2N2O3/c1-23(2,29)21(28)20-18(26)16-11-15(12-7-9-13(24)10-8-12)19(27-22(16)30-20)14-5-3-4-6-17(14)25/h3-11,29H,26H2,1-2H3
InChIKeyIUVWYQRMCLECAF-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.00
Rot. Bonds4

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

1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 10366006) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID10366006
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC Name1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1N
InChIInChI=1S/C23H18Cl2N2O3/c1-23(2,29)21(28)20-18(26)16-11-15(12-7-9-13(24)10-8-12)19(27-22(16)30-20)14-5-3-4-6-17(14)25/h3-11,29H,26H2,1-2H3
InChIKeyIUVWYQRMCLECAF-UHFFFAOYSA-N
XLogP6.00
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one (CID 10366006) is 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1N.
What is the InChIKey of 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is IUVWYQRMCLECAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c1-23(2,29)21(28)20-18(26)16-11-15(12-7-9-13(24)10-8-12)19(27-22(16)30-20)14-5-3-4-6-17(14)25/h3-11,29H,26H2,1-2H3.
What are the key properties of 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one?
1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 441.31 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 10366006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).