1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine

C17H15ClFN3O — CID 53389750

IUPAC1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine
SMILESFc1cc(Cl)ccc1-n1nc(C2CCOCC2)c2ccncc21
InChIInChI=1S/C17H15ClFN3O/c18-12-1-2-15(14(19)9-12)22-16-10-20-6-3-13(16)17(21-22)11-4-7-23-8-5-11/h1-3,6,9-11H,4-5,7-8H2
InChIKeyHWFYPUHGICBZJT-UHFFFAOYSA-N
MW331.78 g/mol
LogP4.11
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine

1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine (PubChem CID 53389750) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine
PubChem CID53389750
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine
SMILESFc1cc(Cl)ccc1-n1nc(C2CCOCC2)c2ccncc21
InChIInChI=1S/C17H15ClFN3O/c18-12-1-2-15(14(19)9-12)22-16-10-20-6-3-13(16)17(21-22)11-4-7-23-8-5-11/h1-3,6,9-11H,4-5,7-8H2
InChIKeyHWFYPUHGICBZJT-UHFFFAOYSA-N
XLogP4.11
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine (CID 53389750) is 1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine is Fc1cc(Cl)ccc1-n1nc(C2CCOCC2)c2ccncc21.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine?
The InChIKey is HWFYPUHGICBZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O/c18-12-1-2-15(14(19)9-12)22-16-10-20-6-3-13(16)17(21-22)11-4-7-23-8-5-11/h1-3,6,9-11H,4-5,7-8H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine?
1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine has a molecular weight of 331.78 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 53389750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).