methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C17H16N4O5 — CID 125431835

IUPACmethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(NC(=O)Cc2ccc(OC)cc2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C17H16N4O5/c1-25-11-5-3-10(4-6-11)7-14(22)20-21-8-12-15(18-19-16(12)23)13(9-21)17(24)26-2/h3-6,8-9H,7H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyJHSBXJUNLNITGO-UHFFFAOYSA-N
MW356.34 g/mol
LogP0.78
Rot. Bonds5

About methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 125431835) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID125431835
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC Namemethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(NC(=O)Cc2ccc(OC)cc2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C17H16N4O5/c1-25-11-5-3-10(4-6-11)7-14(22)20-21-8-12-15(18-19-16(12)23)13(9-21)17(24)26-2/h3-6,8-9H,7H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyJHSBXJUNLNITGO-UHFFFAOYSA-N
XLogP0.78
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432383
methyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240257
methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125431196
methyl 5-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240785
methyl 5-[(4-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239738
methyl 5-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239680
methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204995
methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239609
methyl 5-[(2S)-2-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125124130
methyl 5-[(3R)-3-(furan-2-yl)-4-phenylbutyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124880049
3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-phenylpropanoic acid
CID 128962890
methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 91822809

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 125431835) is methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(NC(=O)Cc2ccc(OC)cc2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is JHSBXJUNLNITGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-25-11-5-3-10(4-6-11)7-14(22)20-21-8-12-15(18-19-16(12)23)13(9-21)17(24)26-2/h3-6,8-9H,7H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 356.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 125431835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).