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

C24H26N4O4 — CID 146440327

IUPAC6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
SMILESCOc1cc2c(cc1-c1cnn(C(C)C)c1)CN(C1CCC1)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C24H26N4O4/c1-14(2)26-11-16(10-25-26)19-7-15-12-27(17-5-4-6-17)28-13-20(24(30)31)22(29)9-21(28)18(15)8-23(19)32-3/h7-11,13-14,17H,4-6,12H2,1-3H3,(H,30,31)
InChIKeyGQHFMRAMHIGWGV-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.67
Rot. Bonds5

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

6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid (PubChem CID 146440327) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid.

Molecular Properties

Compound Name6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
PubChem CID146440327
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
SMILESCOc1cc2c(cc1-c1cnn(C(C)C)c1)CN(C1CCC1)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C24H26N4O4/c1-14(2)26-11-16(10-25-26)19-7-15-12-27(17-5-4-6-17)28-13-20(24(30)31)22(29)9-21(28)18(15)8-23(19)32-3/h7-11,13-14,17H,4-6,12H2,1-3H3,(H,30,31)
InChIKeyGQHFMRAMHIGWGV-UHFFFAOYSA-N
XLogP3.67
TPSA89.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

Ethyl 6-tert-butyl-10-methoxy-2-oxo-9-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 135228489
6-Tert-butyl-9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 135228725
(6R)-9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid
CID 135296724
9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-6-(2-methylbutan-2-yl)-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 135296725
(6R)-3,3-dimethyl-9-[1-(oxetan-3-yl)pyrazol-4-yl]-15-oxo-10-(trifluoromethoxy)-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid
CID 135296790
9-[1-(Difluoromethyl)pyrazol-4-yl]-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid
CID 135296992
Ethyl 10-methoxy-2-oxo-6-propan-2-yl-9-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 141480866
10-Methoxy-2-oxo-6-propan-2-yl-9-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 141480868
6-Tert-butyl-10-methoxy-2-oxo-9-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 142400964
Ethyl 6-tert-butyl-9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 142400999
9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440037
ethyl 9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylate
CID 146440100

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
The IUPAC name of 6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid (CID 146440327) is 6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid.
What is the SMILES notation for 6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
The canonical SMILES for 6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid is COc1cc2c(cc1-c1cnn(C(C)C)c1)CN(C1CCC1)n1cc(C(=O)O)c(=O)cc1-2.
What is the InChIKey of 6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
The InChIKey is GQHFMRAMHIGWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-14(2)26-11-16(10-25-26)19-7-15-12-27(17-5-4-6-17)28-13-20(24(30)31)22(29)9-21(28)18(15)8-23(19)32-3/h7-11,13-14,17H,4-6,12H2,1-3H3,(H,30,31).
What are the key properties of 6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid has a molecular weight of 434.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid is sourced from PubChem (CID 146440327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).