methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C17H15ClFN3O2 — CID 126743310

IUPACmethyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C17H15ClFN3O2/c1-9(2)15-14-12(18)8-13(17(23)24-3)20-16(14)22(21-15)11-6-4-10(19)5-7-11/h4-9H,1-3H3
InChIKeyUYXZUIXBTHCNIB-UHFFFAOYSA-N
MW347.78 g/mol
LogP4.12
Rot. Bonds3

About methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126743310) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126743310
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Namemethyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C17H15ClFN3O2/c1-9(2)15-14-12(18)8-13(17(23)24-3)20-16(14)22(21-15)11-6-4-10(19)5-7-11/h4-9H,1-3H3
InChIKeyUYXZUIXBTHCNIB-UHFFFAOYSA-N
XLogP4.12
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126743310) is methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1cc(Cl)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.
What is the InChIKey of methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is UYXZUIXBTHCNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-9(2)15-14-12(18)8-13(17(23)24-3)20-16(14)22(21-15)11-6-4-10(19)5-7-11/h4-9H,1-3H3.
What are the key properties of methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 347.78 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126743310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).