methyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

C19H18FN3O2 — CID 22117136

IUPACmethyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1c(C2CC2)nc2c(c(C)nn2C)c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-10-14-15(11-6-8-13(20)9-7-11)16(19(24)25-3)17(12-4-5-12)21-18(14)23(2)22-10/h6-9,12H,4-5H2,1-3H3
InChIKeyDRRIUORFWPMFKF-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.75
Rot. Bonds3

About methyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

methyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 22117136) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is methyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID22117136
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Namemethyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1c(C2CC2)nc2c(c(C)nn2C)c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-10-14-15(11-6-8-13(20)9-7-11)16(19(24)25-3)17(12-4-5-12)21-18(14)23(2)22-10/h6-9,12H,4-5H2,1-3H3
InChIKeyDRRIUORFWPMFKF-UHFFFAOYSA-N
XLogP3.75
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of methyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 22117136) is methyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is COC(=O)c1c(C2CC2)nc2c(c(C)nn2C)c1-c1ccc(F)cc1.
What is the InChIKey of methyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is DRRIUORFWPMFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-10-14-15(11-6-8-13(20)9-7-11)16(19(24)25-3)17(12-4-5-12)21-18(14)23(2)22-10/h6-9,12H,4-5H2,1-3H3.
What are the key properties of methyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
methyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 339.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclopropyl-4-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 22117136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).