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

IUPAC10-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
SMILESCOCC(C)(C)n1cc(-c2cc3c(cc2OC)-c2cc(=O)c(C(=O)O)cn2N(C(C)C)C3)cn1
InChIInChI=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)
InChIKeyLRAFUDMASDLMSB-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.33
Rot. Bonds7

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 Name10-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 CID146440026
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name10-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
SMILESCOCC(C)(C)n1cc(-c2cc3c(cc2OC)-c2cc(=O)c(C(=O)O)cn2N(C(C)C)C3)cn1
InChIInChI=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)
InChIKeyLRAFUDMASDLMSB-UHFFFAOYSA-N
XLogP3.33
TPSA98.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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).