methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate

C27H27N5O5 — CID 152549788

IUPACmethyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate
SMILESCOC(=O)N1CC(NC(=O)c2cc3c(=O)[nH]c(-c4ccc(C)c(C)c4)cn3n2)(c2ccc(OC)cc2)C1
InChIInChI=1S/C27H27N5O5/c1-16-5-6-18(11-17(16)2)22-13-32-23(25(34)28-22)12-21(30-32)24(33)29-27(14-31(15-27)26(35)37-4)19-7-9-20(36-3)10-8-19/h5-13H,14-15H2,1-4H3,(H,28,34)(H,29,33)
InChIKeyYNGAOWTWMOYBST-UHFFFAOYSA-N
MW501.54 g/mol
LogP3.02
Rot. Bonds5

About methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate

methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate (PubChem CID 152549788) has the molecular formula C27H27N5O5 and a molecular weight of 501.54 g/mol. Its IUPAC name is methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate
PubChem CID152549788
Molecular FormulaC27H27N5O5
Molecular Weight501.54 g/mol
Exact Mass501.20
IUPAC Namemethyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate
SMILESCOC(=O)N1CC(NC(=O)c2cc3c(=O)[nH]c(-c4ccc(C)c(C)c4)cn3n2)(c2ccc(OC)cc2)C1
InChIInChI=1S/C27H27N5O5/c1-16-5-6-18(11-17(16)2)22-13-32-23(25(34)28-22)12-21(30-32)24(33)29-27(14-31(15-27)26(35)37-4)19-7-9-20(36-3)10-8-19/h5-13H,14-15H2,1-4H3,(H,28,34)(H,29,33)
InChIKeyYNGAOWTWMOYBST-UHFFFAOYSA-N
XLogP3.02
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate 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

N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 147411509
6-(3,4-dimethylphenyl)-N-[1-(4-fluorophenyl)cyclobutyl]-4-oxo-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride
CID 167694485
6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 175114831
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 148979862
ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 165401365
3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 143881274
5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685365
2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 119760269
N-[1-(4-methoxyphenyl)cyclopropyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 171647126
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 60617884
ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 58170089

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate?
The IUPAC name of methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate (CID 152549788) is methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate.
What is the SMILES notation for methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate?
The canonical SMILES for methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate is COC(=O)N1CC(NC(=O)c2cc3c(=O)[nH]c(-c4ccc(C)c(C)c4)cn3n2)(c2ccc(OC)cc2)C1.
What is the InChIKey of methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate?
The InChIKey is YNGAOWTWMOYBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O5/c1-16-5-6-18(11-17(16)2)22-13-32-23(25(34)28-22)12-21(30-32)24(33)29-27(14-31(15-27)26(35)37-4)19-7-9-20(36-3)10-8-19/h5-13H,14-15H2,1-4H3,(H,28,34)(H,29,33).
What are the key properties of methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate?
methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate has a molecular weight of 501.54 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]-3-(4-methoxyphenyl)azetidine-1-carboxylate is sourced from PubChem (CID 152549788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).