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

C16H13FN4O4 — CID 110205394

IUPACmethyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCNC(=O)c1cc(-n2cc(C(=O)OC)c3n[nH]c(=O)c-3c2)ccc1F
InChIInChI=1S/C16H13FN4O4/c1-18-14(22)9-5-8(3-4-12(9)17)21-6-10-13(19-20-15(10)23)11(7-21)16(24)25-2/h3-7H,1-2H3,(H,18,22)(H,20,23)
InChIKeyKDFHFMQIVBMHQH-UHFFFAOYSA-N
MW344.30 g/mol
LogP0.95
Rot. Bonds3

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

methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 110205394) has the molecular formula C16H13FN4O4 and a molecular weight of 344.30 g/mol. Its IUPAC name is methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID110205394
Molecular FormulaC16H13FN4O4
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Namemethyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCNC(=O)c1cc(-n2cc(C(=O)OC)c3n[nH]c(=O)c-3c2)ccc1F
InChIInChI=1S/C16H13FN4O4/c1-18-14(22)9-5-8(3-4-12(9)17)21-6-10-13(19-20-15(10)23)11(7-21)16(24)25-2/h3-7H,1-2H3,(H,18,22)(H,20,23)
InChIKeyKDFHFMQIVBMHQH-UHFFFAOYSA-N
XLogP0.95
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 91822809
methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205409
methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204995
methyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204259
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
2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid
CID 110204797
methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432383
methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205742
methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432274
methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124878415
3-(2,4-difluorophenyl)-3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)propanoic acid
CID 128962627

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 110205394) is methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is CNC(=O)c1cc(-n2cc(C(=O)OC)c3n[nH]c(=O)c-3c2)ccc1F.
What is the InChIKey of methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is KDFHFMQIVBMHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O4/c1-18-14(22)9-5-8(3-4-12(9)17)21-6-10-13(19-20-15(10)23)11(7-21)16(24)25-2/h3-7H,1-2H3,(H,18,22)(H,20,23).
What are the key properties of methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 344.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 110205394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).