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

C24H30N4O4 — CID 146440096

IUPACmethyl 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
SMILESCOC(=O)c1cn2c(cc1=O)-c1cc(OC)c(C3=CN(C(C)C)NC3)cc1CN2C(C)C
InChIInChI=1S/C24H30N4O4/c1-14(2)26-11-17(10-25-26)19-7-16-12-27(15(3)4)28-13-20(24(30)32-6)22(29)9-21(28)18(16)8-23(19)31-5/h7-9,11,13-15,25H,10,12H2,1-6H3
InChIKeyNCOAARUETOSJOX-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.74
Rot. Bonds5

About 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

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 (PubChem CID 146440096) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID146440096
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Namemethyl 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
SMILESCOC(=O)c1cn2c(cc1=O)-c1cc(OC)c(C3=CN(C(C)C)NC3)cc1CN2C(C)C
InChIInChI=1S/C24H30N4O4/c1-14(2)26-11-17(10-25-26)19-7-16-12-27(15(3)4)28-13-20(24(30)32-6)22(29)9-21(28)18(16)8-23(19)31-5/h7-9,11,13-15,25H,10,12H2,1-6H3
InChIKeyNCOAARUETOSJOX-UHFFFAOYSA-N
XLogP2.74
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 10-hydroxy-9-methoxy-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylate
CID 126540375
10-methoxy-2-oxo-6-propan-2-yl-9-pyridin-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440155
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-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
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
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
6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440327
3-acetyl-10-chloro-9-[1-(difluoromethyl)pyrazol-4-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one
CID 161038517
10-methoxy-9-(3-methoxypropoxy)-6-(2-methylpropyl)-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 126510080
10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 166680335
ethyl 10-ethoxy-9-(3-methoxypropoxy)-6-(2-methylbutan-2-yl)-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylate
CID 135296934
methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate
CID 142755159

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1cn2c(cc1=O)-c1cc(OC)c(C3=CN(C(C)C)NC3)cc1CN2C(C)C.
What is the InChIKey of 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?
The InChIKey is NCOAARUETOSJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-14(2)26-11-17(10-25-26)19-7-16-12-27(15(3)4)28-13-20(24(30)32-6)22(29)9-21(28)18(16)8-23(19)31-5/h7-9,11,13-15,25H,10,12H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 438.53 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146440096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).