[2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate

C30H24Cl2N4O6 — CID 68628319

About [2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate

[2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate (PubChem CID 68628319) has the molecular formula C30H24Cl2N4O6 and a molecular weight of 607.45 g/mol. Its IUPAC name is [2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate.

Molecular Properties

• Compound Name: [2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate
• PubChem CID: 68628319
• Molecular Formula: C30H24Cl2N4O6
• Molecular Weight: 607.45 g/mol
• Exact Mass: 606.11
• IUPAC Name: [2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate
• SMILES: CC(=O)OCC(=O)Nc1c(C(=O)C(C)(C)O)oc2nc(-c3ccc(-c4cn[nH]c4)cc3Cl)c(-c3ccc(Cl)cc3)cc12
• InChI: InChI=1S/C30H24Cl2N4O6/c1-15(37)41-14-24(38)35-26-22-11-21(16-4-7-19(31)8-5-16)25(36-29(22)42-27(26)28(39)30(2,3)40)20-9-6-17(10-23(20)32)18-12-33-34-13-18/h4-13,40H,14H2,1-3H3,(H,33,34)(H,35,38)
• InChIKey: JJLLWPZFPSYOFC-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 147.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.45
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate?

The IUPAC name of [2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate (CID 68628319) is [2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate.

What is the SMILES notation for [2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate?

The canonical SMILES for [2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1c(C(=O)C(C)(C)O)oc2nc(-c3ccc(-c4cn[nH]c4)cc3Cl)c(-c3ccc(Cl)cc3)cc12.

What is the InChIKey of [2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate?

The InChIKey is JJLLWPZFPSYOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2N4O6/c1-15(37)41-14-24(38)35-26-22-11-21(16-4-7-19(31)8-5-16)25(36-29(22)42-27(26)28(39)30(2,3)40)20-9-6-17(10-23(20)32)18-12-33-34-13-18/h4-13,40H,14H2,1-3H3,(H,33,34)(H,35,38).

What are the key properties of [2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate?

[2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate has a molecular weight of 607.45 g/mol, XLogP of 6.31, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate is sourced from PubChem (CID 68628319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).