4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one

C32H36ClN3O5 — CID 149318772

About 4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one

4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one (PubChem CID 149318772) has the molecular formula C32H36ClN3O5 and a molecular weight of 578.11 g/mol. Its IUPAC name is 4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one
• PubChem CID: 149318772
• Molecular Formula: C32H36ClN3O5
• Molecular Weight: 578.11 g/mol
• Exact Mass: 577.23
• IUPAC Name: 4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one
• SMILES: CCC(=O)c1ccc(Cl)cc1-c1cc(=O)n(C(CCOC(C)(C)C)C(=O)Cc2ccc3nn(C)cc3c2)cc1OC
• InChI: InChI=1S/C32H36ClN3O5/c1-7-28(37)23-10-9-22(33)16-24(23)25-17-31(39)36(19-30(25)40-6)27(12-13-41-32(2,3)4)29(38)15-20-8-11-26-21(14-20)18-35(5)34-26/h8-11,14,16-19,27H,7,12-13,15H2,1-6H3
• InChIKey: YAAUJABDQBUSGI-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 92.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.11
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one?

The IUPAC name of 4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one (CID 149318772) is 4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one.

What is the SMILES notation for 4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one?

The canonical SMILES for 4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one is CCC(=O)c1ccc(Cl)cc1-c1cc(=O)n(C(CCOC(C)(C)C)C(=O)Cc2ccc3nn(C)cc3c2)cc1OC.

What is the InChIKey of 4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one?

The InChIKey is YAAUJABDQBUSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN3O5/c1-7-28(37)23-10-9-22(33)16-24(23)25-17-31(39)36(19-30(25)40-6)27(12-13-41-32(2,3)4)29(38)15-20-8-11-26-21(14-20)18-35(5)34-26/h8-11,14,16-19,27H,7,12-13,15H2,1-6H3.

What are the key properties of 4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one?

4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one has a molecular weight of 578.11 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-2-propanoylphenyl)-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one is sourced from PubChem (CID 149318772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).