ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate

C24H21N5O3 — CID 131732098

IUPACethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate
SMILESCCOC(=O)Cn1nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)cc-2c1=O
InChIInChI=1S/C24H21N5O3/c1-2-32-22(30)16-29-24(31)20-15-27(21-7-4-3-6-19(21)23(20)26-29)14-17-8-10-18(11-9-17)28-13-5-12-25-28/h3-13,15H,2,14,16H2,1H3
InChIKeyHSRUPEOSEQEULN-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.10
Rot. Bonds6

About ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate

ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate (PubChem CID 131732098) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate
PubChem CID131732098
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Nameethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate
SMILESCCOC(=O)Cn1nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)cc-2c1=O
InChIInChI=1S/C24H21N5O3/c1-2-32-22(30)16-29-24(31)20-15-27(21-7-4-3-6-19(21)23(20)26-29)14-17-8-10-18(11-9-17)28-13-5-12-25-28/h3-13,15H,2,14,16H2,1H3
InChIKeyHSRUPEOSEQEULN-UHFFFAOYSA-N
XLogP3.10
TPSA83.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
CID 67111534
5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one
CID 12016990
5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one
CID 118724594
ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate
CID 110193707
2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
CID 46897295
5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one
CID 12016985
(4-pyrazol-1-ylphenyl)methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 27262826
2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide
CID 20918686
2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
CID 46897110
5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 67113899
2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 20918697
ethyl 1-benzyl-5-[1-[(4-fluorophenyl)methyl]indol-3-yl]pyrazole-3-carboxylate
CID 141254425

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate?
The IUPAC name of ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate (CID 131732098) is ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate?
The canonical SMILES for ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate is CCOC(=O)Cn1nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)cc-2c1=O.
What is the InChIKey of ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate?
The InChIKey is HSRUPEOSEQEULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-2-32-22(30)16-29-24(31)20-15-27(21-7-4-3-6-19(21)23(20)26-29)14-17-8-10-18(11-9-17)28-13-5-12-25-28/h3-13,15H,2,14,16H2,1H3.
What are the key properties of ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate?
ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate has a molecular weight of 427.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate is sourced from PubChem (CID 131732098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).