methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C14H14N6O3 — CID 125431324

IUPACmethyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(Nc2nc(C)cc(C)n2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C14H14N6O3/c1-7-4-8(2)16-14(15-7)19-20-5-9-11(17-18-12(9)21)10(6-20)13(22)23-3/h4-6H,1-3H3,(H,18,21)(H,15,16,19)
InChIKeyWUFPXJYSTUCHSC-UHFFFAOYSA-N
MW314.31 g/mol
LogP0.74
Rot. Bonds3

About methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 125431324) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID125431324
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC Namemethyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(Nc2nc(C)cc(C)n2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C14H14N6O3/c1-7-4-8(2)16-14(15-7)19-20-5-9-11(17-18-12(9)21)10(6-20)13(22)23-3/h4-6H,1-3H3,(H,18,21)(H,15,16,19)
InChIKeyWUFPXJYSTUCHSC-UHFFFAOYSA-N
XLogP0.74
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5-[(4,6-dimethylpyrimidin-2-yl)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-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432274
methyl 5-(4-hydroxybutanoylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432517
methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125431835
methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125431196
methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205409
methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 91822809
methyl 5-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125123562
methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239609
methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204995
3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid
CID 128963233
methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125433447

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 125431324) is methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(Nc2nc(C)cc(C)n2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is WUFPXJYSTUCHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-7-4-8(2)16-14(15-7)19-20-5-9-11(17-18-12(9)21)10(6-20)13(22)23-3/h4-6H,1-3H3,(H,18,21)(H,15,16,19).
What are the key properties of methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 314.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 125431324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).