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

C9H10N4O3 — CID 125432383

IUPACmethyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCNn1cc(C(=O)OC)c2n[nH]c(=O)c-2c1
InChIInChI=1S/C9H10N4O3/c1-10-13-3-5-7(11-12-8(5)14)6(4-13)9(15)16-2/h3-4,10H,1-2H3,(H,12,14)
InChIKeyRCHCWRSRBFIMLG-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.36
Rot. Bonds2

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

methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 125432383) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID125432383
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Namemethyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCNn1cc(C(=O)OC)c2n[nH]c(=O)c-2c1
InChIInChI=1S/C9H10N4O3/c1-10-13-3-5-7(11-12-8(5)14)6(4-13)9(15)16-2/h3-4,10H,1-2H3,(H,12,14)
InChIKeyRCHCWRSRBFIMLG-UHFFFAOYSA-N
XLogP-0.36
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432274
methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125431324
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 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205409
methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125431196
methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204995
methyl 5-[(2,2-dimethyloxane-4-carbonyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 128963334
methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125433447
methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204467
methyl 5-[4-(azepan-1-yl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204105
methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 128962868

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 125432383) is methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is CNn1cc(C(=O)OC)c2n[nH]c(=O)c-2c1.
What is the InChIKey of methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is RCHCWRSRBFIMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-10-13-3-5-7(11-12-8(5)14)6(4-13)9(15)16-2/h3-4,10H,1-2H3,(H,12,14).
What are the key properties of methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 222.20 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 125432383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).