10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid

C25H30N4O5 — CID 146440026

About 10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid

10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid (PubChem CID 146440026) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid.

Molecular Properties

• Compound Name: 10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
• PubChem CID: 146440026
• Molecular Formula: C25H30N4O5
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.22
• IUPAC Name: 10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
• SMILES: COCC(C)(C)n1cc(-c2cc3c(cc2OC)-c2cc(=O)c(C(=O)O)cn2N(C(C)C)C3)cn1
• InChI: InChI=1S/C25H30N4O5/c1-15(2)27-11-16-7-19(17-10-26-29(12-17)25(3,4)14-33-5)23(34-6)8-18(16)21-9-22(30)20(24(31)32)13-28(21)27/h7-10,12-13,15H,11,14H2,1-6H3,(H,31,32)
• InChIKey: LRAFUDMASDLMSB-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 98.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?

The IUPAC name of 10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid (CID 146440026) is 10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid.

What is the SMILES notation for 10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?

The canonical SMILES for 10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid is COCC(C)(C)n1cc(-c2cc3c(cc2OC)-c2cc(=O)c(C(=O)O)cn2N(C(C)C)C3)cn1.

What is the InChIKey of 10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?

The InChIKey is LRAFUDMASDLMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-15(2)27-11-16-7-19(17-10-26-29(12-17)25(3,4)14-33-5)23(34-6)8-18(16)21-9-22(30)20(24(31)32)13-28(21)27/h7-10,12-13,15H,11,14H2,1-6H3,(H,31,32).

What are the key properties of 10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?

10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid has a molecular weight of 466.54 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid is sourced from PubChem (CID 146440026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).