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

C18H16FN3O2 — CID 19616678

IUPACmethyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-10-16-14(18(23)24-2)9-15(11-3-4-11)20-17(16)22(21-10)13-7-5-12(19)6-8-13/h5-9,11H,3-4H2,1-2H3
InChIKeyKPJSDGNQJFPYGC-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.53
Rot. Bonds3

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

methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 19616678) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID19616678
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Namemethyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-10-16-14(18(23)24-2)9-15(11-3-4-11)20-17(16)22(21-10)13-7-5-12(19)6-8-13/h5-9,11H,3-4H2,1-2H3
InChIKeyKPJSDGNQJFPYGC-UHFFFAOYSA-N
XLogP3.53
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 19616679
methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247525
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247958
6-cyclopropyl-N-(2,3-dimethylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19616295
N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 20928287
methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247593
6-cyclopropyl-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026278
N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 20928251
methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 19588745
6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 20928303
N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823473

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 19616678) is methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(F)cc1.
What is the InChIKey of methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is KPJSDGNQJFPYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-10-16-14(18(23)24-2)9-15(11-3-4-11)20-17(16)22(21-10)13-7-5-12(19)6-8-13/h5-9,11H,3-4H2,1-2H3.
What are the key properties of methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 325.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 19616678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).