methyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate

C16H14ClN3O2 — CID 20855102

IUPACmethyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O2/c1-9-8-11(16(21)22-3)14-10(2)19-20(15(14)18-9)13-7-5-4-6-12(13)17/h4-8H,1-3H3
InChIKeyFVAZAGXSSKESSO-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.48
Rot. Bonds2

About methyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate

methyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 20855102) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is methyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID20855102
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Namemethyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O2/c1-9-8-11(16(21)22-3)14-10(2)19-20(15(14)18-9)13-7-5-4-6-12(13)17/h4-8H,1-3H3
InChIKeyFVAZAGXSSKESSO-UHFFFAOYSA-N
XLogP3.48
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 20855102) is methyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate is COC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1Cl.
What is the InChIKey of methyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is FVAZAGXSSKESSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-9-8-11(16(21)22-3)14-10(2)19-20(15(14)18-9)13-7-5-4-6-12(13)17/h4-8H,1-3H3.
What are the key properties of methyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
methyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 315.76 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 20855102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).