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

C25H28N4O5 — CID 146440170

IUPAC10-methoxy-9-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
SMILESCOc1cc2c(cc1-c1cnn(C3CCOCC3)c1)CN(C(C)C)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C25H28N4O5/c1-15(2)28-13-16-8-20(17-11-26-27(12-17)18-4-6-34-7-5-18)24(33-3)9-19(16)22-10-23(30)21(25(31)32)14-29(22)28/h8-12,14-15,18H,4-7,13H2,1-3H3,(H,31,32)
InChIKeyCHAAABVCAGWYSP-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.30
Rot. Bonds5

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

10-methoxy-9-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid (PubChem CID 146440170) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 10-methoxy-9-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid.

Molecular Properties

Compound Name10-methoxy-9-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
PubChem CID146440170
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name10-methoxy-9-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
SMILESCOc1cc2c(cc1-c1cnn(C3CCOCC3)c1)CN(C(C)C)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C25H28N4O5/c1-15(2)28-13-16-8-20(17-11-26-27(12-17)18-4-6-34-7-5-18)24(33-3)9-19(16)22-10-23(30)21(25(31)32)14-29(22)28/h8-12,14-15,18H,4-7,13H2,1-3H3,(H,31,32)
InChIKeyCHAAABVCAGWYSP-UHFFFAOYSA-N
XLogP3.30
TPSA98.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

10-methoxy-3-methyl-9-[1-(oxetan-3-yl)pyrazol-4-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one
CID 158860362
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
6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440327
1-formyl-10-methoxy-9-[1-(oxan-4-yl)pyrazol-4-yl]-6-propan-2-yl-2,7-dihydropyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440066
9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440030
10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440155
methyl 10-methoxy-2-oxo-6-propan-2-yl-9-(2-propan-2-yl-1,5-dihydropyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylate
CID 146440096
3-acetyl-10-chloro-9-[1-(difluoromethyl)pyrazol-4-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one
CID 161038517
tert-butyl 10-hydroxy-9-methoxy-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylate
CID 126540375
6-tert-butyl-9-[1-(3,3-dihydroxypropyl)pyrazol-4-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 146589200
10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440103
3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid
CID 175581630

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-9-[1-(oxan-4-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-(oxan-4-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid (CID 146440170) is 10-methoxy-9-[1-(oxan-4-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-(oxan-4-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-(oxan-4-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid is COc1cc2c(cc1-c1cnn(C3CCOCC3)c1)CN(C(C)C)n1cc(C(=O)O)c(=O)cc1-2.
What is the InChIKey of 10-methoxy-9-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
The InChIKey is CHAAABVCAGWYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-15(2)28-13-16-8-20(17-11-26-27(12-17)18-4-6-34-7-5-18)24(33-3)9-19(16)22-10-23(30)21(25(31)32)14-29(22)28/h8-12,14-15,18H,4-7,13H2,1-3H3,(H,31,32).
What are the key properties of 10-methoxy-9-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
10-methoxy-9-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid has a molecular weight of 464.52 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-9-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid is sourced from PubChem (CID 146440170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).