2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone

C17H13ClFN3O — CID 155385993

IUPAC2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone
SMILESO=C(Cn1ncc2ncc(-c3ccc(F)c(Cl)c3)cc21)C1CC1
InChIInChI=1S/C17H13ClFN3O/c18-13-5-11(3-4-14(13)19)12-6-16-15(20-7-12)8-21-22(16)9-17(23)10-1-2-10/h3-8,10H,1-2,9H2
InChIKeyNPMPYZNZWFULIZ-UHFFFAOYSA-N
MW329.76 g/mol
LogP3.87
Rot. Bonds4

About 2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone

2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone (PubChem CID 155385993) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone.

Molecular Properties

Compound Name2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone
PubChem CID155385993
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC Name2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone
SMILESO=C(Cn1ncc2ncc(-c3ccc(F)c(Cl)c3)cc21)C1CC1
InChIInChI=1S/C17H13ClFN3O/c18-13-5-11(3-4-14(13)19)12-6-16-15(20-7-12)8-21-22(16)9-17(23)10-1-2-10/h3-8,10H,1-2,9H2
InChIKeyNPMPYZNZWFULIZ-UHFFFAOYSA-N
XLogP3.87
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone?
The IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone (CID 155385993) is 2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone.
What is the SMILES notation for 2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone?
The canonical SMILES for 2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone is O=C(Cn1ncc2ncc(-c3ccc(F)c(Cl)c3)cc21)C1CC1.
What is the InChIKey of 2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone?
The InChIKey is NPMPYZNZWFULIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c18-13-5-11(3-4-14(13)19)12-6-16-15(20-7-12)8-21-22(16)9-17(23)10-1-2-10/h3-8,10H,1-2,9H2.
What are the key properties of 2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone?
2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone has a molecular weight of 329.76 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone is sourced from PubChem (CID 155385993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).