5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride

C17H11ClFN3O2S — CID 12018227

IUPAC5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride
SMILESO=S(Cl)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C17H11ClFN3O2S/c18-25(23)15-8-7-14(24-15)16-12-5-3-9-20-17(12)22(21-16)10-11-4-1-2-6-13(11)19/h1-9H,10H2
InChIKeyGHLWOVMNJMFHOQ-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.14
Rot. Bonds4

About 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride

5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride (PubChem CID 12018227) has the molecular formula C17H11ClFN3O2S and a molecular weight of 375.81 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride
PubChem CID12018227
Molecular FormulaC17H11ClFN3O2S
Molecular Weight375.81 g/mol
Exact Mass375.02
IUPAC Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride
SMILESO=S(Cl)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C17H11ClFN3O2S/c18-25(23)15-8-7-14(24-15)16-12-5-3-9-20-17(12)22(21-16)10-11-4-1-2-6-13(11)19/h1-9H,10H2
InChIKeyGHLWOVMNJMFHOQ-UHFFFAOYSA-N
XLogP4.14
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride (CID 12018227) is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride is O=S(Cl)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride?
The InChIKey is GHLWOVMNJMFHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2S/c18-25(23)15-8-7-14(24-15)16-12-5-3-9-20-17(12)22(21-16)10-11-4-1-2-6-13(11)19/h1-9H,10H2.
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride?
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride has a molecular weight of 375.81 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinyl chloride is sourced from PubChem (CID 12018227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).