N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide

C30H26Cl2N4O4 — CID 74423961

About N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide

N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide (PubChem CID 74423961) has the molecular formula C30H26Cl2N4O4 and a molecular weight of 577.47 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide.

Molecular Properties

• Compound Name: N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide
• PubChem CID: 74423961
• Molecular Formula: C30H26Cl2N4O4
• Molecular Weight: 577.47 g/mol
• Exact Mass: 576.13
• IUPAC Name: N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide
• SMILES: CC(O)C(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccc(-c4cn[nH]c4)cc3Cl)c(-c3ccc(Cl)cc3)cc12
• InChI: InChI=1S/C30H26Cl2N4O4/c1-15(37)28(39)35-25-22-12-21(16-5-8-19(31)9-6-16)24(36-29(22)40-26(25)27(38)30(2,3)4)20-10-7-17(11-23(20)32)18-13-33-34-14-18/h5-15,37H,1-4H3,(H,33,34)(H,35,39)
• InChIKey: DVGMBXOTICGSPT-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 121.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.47
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide?

The IUPAC name of N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide (CID 74423961) is N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide.

What is the SMILES notation for N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide?

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

What is the InChIKey of N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide?

The InChIKey is DVGMBXOTICGSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2N4O4/c1-15(37)28(39)35-25-22-12-21(16-5-8-19(31)9-6-16)24(36-29(22)40-26(25)27(38)30(2,3)4)20-10-7-17(11-23(20)32)18-13-33-34-14-18/h5-15,37H,1-4H3,(H,33,34)(H,35,39).

What are the key properties of N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide?

N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide has a molecular weight of 577.47 g/mol, XLogP of 7.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-chlorophenyl)-6-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxypropanamide is sourced from PubChem (CID 74423961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).