methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate

C11H9N5O2 — CID 155786434

IUPACmethyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate
SMILESCOC(=O)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/C11H9N5O2/c1-18-11(17)10-9-7(5-13-15-9)4-8(14-10)16-3-2-12-6-16/h2-6H,1H3,(H,13,15)
InChIKeyIVHHJJOMWFYEAE-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.93
Rot. Bonds2

About methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate

methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate (PubChem CID 155786434) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate
PubChem CID155786434
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Namemethyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate
SMILESCOC(=O)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/C11H9N5O2/c1-18-11(17)10-9-7(5-13-15-9)4-8(14-10)16-3-2-12-6-16/h2-6H,1H3,(H,13,15)
InChIKeyIVHHJJOMWFYEAE-UHFFFAOYSA-N
XLogP0.93
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155598646
5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155786248
CID 176998352
CID 176998352
methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate
CID 164940209
methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate
CID 67491553
methyl 2-bromo-4-imidazol-1-ylbenzoate
CID 131555290
6-imidazol-1-yl-N-propan-2-ylpyrazine-2-carboxamide
CID 166095150
3-imidazol-1-yl-N-(1H-indazol-5-yl)-5-(2-methoxyethoxy)benzamide
CID 171566281
methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate
CID 171662055
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide
CID 155786350
methyl 4-imidazol-1-yl-5-methylsulfonyl-2-nitrobenzoate
CID 18920150

Frequently Asked Questions

What is the IUPAC name of methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate (CID 155786434) is methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate is COC(=O)c1nc(-n2ccnc2)cc2cn[nH]c12.
What is the InChIKey of methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate?
The InChIKey is IVHHJJOMWFYEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-18-11(17)10-9-7(5-13-15-9)4-8(14-10)16-3-2-12-6-16/h2-6H,1H3,(H,13,15).
What are the key properties of methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate?
methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate has a molecular weight of 243.23 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate is sourced from PubChem (CID 155786434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).