methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C13H10N4O3 — CID 110205409

IUPACmethyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2ccncc2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C13H10N4O3/c1-20-13(19)10-7-17(8-2-4-14-5-3-8)6-9-11(10)15-16-12(9)18/h2-7H,1H3,(H,16,18)
InChIKeyHDMWNMJEIQFGDP-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.85
Rot. Bonds2

About methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 110205409) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID110205409
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Namemethyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2ccncc2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C13H10N4O3/c1-20-13(19)10-7-17(8-2-4-14-5-3-8)6-9-11(10)15-16-12(9)18/h2-7H,1H3,(H,16,18)
InChIKeyHDMWNMJEIQFGDP-UHFFFAOYSA-N
XLogP0.85
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204995
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-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 91822809
methyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204259
methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205394
methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432383
2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid
CID 110204797
methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205742
methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204325
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 110205409) is methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2ccncc2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is HDMWNMJEIQFGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c1-20-13(19)10-7-17(8-2-4-14-5-3-8)6-9-11(10)15-16-12(9)18/h2-7H,1H3,(H,16,18).
What are the key properties of methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 270.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 110205409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).