ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate

C23H22N6O5 — CID 108801722

IUPACethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1NC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C23H22N6O5/c1-3-34-22(32)16-13-24-29(18-12-14(2)15-6-4-5-7-17(15)25-18)21(16)26-19(30)8-10-28-11-9-20(31)27-23(28)33/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,26,30)(H,27,31,33)
InChIKeyOBAGMEOOQRFKMC-UHFFFAOYSA-N
MW462.47 g/mol
LogP1.78
Rot. Bonds7

About ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate

ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate (PubChem CID 108801722) has the molecular formula C23H22N6O5 and a molecular weight of 462.47 g/mol. Its IUPAC name is ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
PubChem CID108801722
Molecular FormulaC23H22N6O5
Molecular Weight462.47 g/mol
Exact Mass462.17
IUPAC Nameethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1NC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C23H22N6O5/c1-3-34-22(32)16-13-24-29(18-12-14(2)15-6-4-5-7-17(15)25-18)21(16)26-19(30)8-10-28-11-9-20(31)27-23(28)33/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,26,30)(H,27,31,33)
InChIKeyOBAGMEOOQRFKMC-UHFFFAOYSA-N
XLogP1.78
TPSA140.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 5-[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108769619
ethyl 5-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747543
ethyl 5-(methoxycarbonylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747535
ethyl 5-[[4-(2-methoxyphenyl)-4-oxobutanoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747561
ethyl 5-(2-bromobutanoylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747531
ethyl 5-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108769614
ethyl 1-(4-methylquinolin-2-yl)-5-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyrazole-4-carboxylate
CID 108769638
ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 732237
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788630
ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108779349
ethyl 5-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108769602
ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-naphthalen-1-ylacetyl)amino]pyrazole-4-carboxylate
CID 108747051

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate (CID 108801722) is ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1NC(=O)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate?
The InChIKey is OBAGMEOOQRFKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O5/c1-3-34-22(32)16-13-24-29(18-12-14(2)15-6-4-5-7-17(15)25-18)21(16)26-19(30)8-10-28-11-9-20(31)27-23(28)33/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,26,30)(H,27,31,33).
What are the key properties of ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate?
ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate has a molecular weight of 462.47 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 108801722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).