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

C15H11N5O3 — CID 110204259

IUPACmethyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2ccc3nc[nH]c3c2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C15H11N5O3/c1-23-15(22)10-6-20(5-9-13(10)18-19-14(9)21)8-2-3-11-12(4-8)17-7-16-11/h2-7H,1H3,(H,16,17)(H,19,21)
InChIKeyUSMIGYKBDNTMMJ-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.33
Rot. Bonds2

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

methyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 110204259) has the molecular formula C15H11N5O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is methyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID110204259
Molecular FormulaC15H11N5O3
Molecular Weight309.29 g/mol
Exact Mass309.09
IUPAC Namemethyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2ccc3nc[nH]c3c2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C15H11N5O3/c1-23-15(22)10-6-20(5-9-13(10)18-19-14(9)21)8-2-3-11-12(4-8)17-7-16-11/h2-7H,1H3,(H,16,17)(H,19,21)
InChIKeyUSMIGYKBDNTMMJ-UHFFFAOYSA-N
XLogP1.33
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.33
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
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2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid
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methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205742
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-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125431324
methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
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methyl 5-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240785
3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-phenylpropanoic acid
CID 128962890
methyl 5-(4-hydroxybutanoylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432517
methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 110204259) is methyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2ccc3nc[nH]c3c2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is USMIGYKBDNTMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3/c1-23-15(22)10-6-20(5-9-13(10)18-19-14(9)21)8-2-3-11-12(4-8)17-7-16-11/h2-7H,1H3,(H,16,17)(H,19,21).
What are the key properties of methyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 309.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 110204259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).