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

C18H16ClN3O2 — CID 17026151

IUPACmethyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C1CC1)nn2C
InChIInChI=1S/C18H16ClN3O2/c1-22-17-15(16(21-22)11-3-4-11)13(18(23)24-2)9-14(20-17)10-5-7-12(19)8-6-10/h5-9,11H,3-4H2,1-2H3
InChIKeyBVMCBJYLOUSVCB-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.95
Rot. Bonds3

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

methyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 17026151) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is methyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID17026151
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Namemethyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C1CC1)nn2C
InChIInChI=1S/C18H16ClN3O2/c1-22-17-15(16(21-22)11-3-4-11)13(18(23)24-2)9-14(20-17)10-5-7-12(19)8-6-10/h5-9,11H,3-4H2,1-2H3
InChIKeyBVMCBJYLOUSVCB-UHFFFAOYSA-N
XLogP3.95
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 17026151) is methyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C1CC1)nn2C.
What is the InChIKey of methyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is BVMCBJYLOUSVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-22-17-15(16(21-22)11-3-4-11)13(18(23)24-2)9-14(20-17)10-5-7-12(19)8-6-10/h5-9,11H,3-4H2,1-2H3.
What are the key properties of methyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 341.80 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-chlorophenyl)-3-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 17026151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).