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

C21H19FN4O3S — CID 12018230

IUPAC4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine
SMILESO=S(c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1)N1CCOCC1
InChIInChI=1S/C21H19FN4O3S/c22-17-6-2-1-4-15(17)14-26-21-16(5-3-9-23-21)20(24-26)18-7-8-19(29-18)30(27)25-10-12-28-13-11-25/h1-9H,10-14H2
InChIKeyYZESLRBKGMUECL-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.23
Rot. Bonds5

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

4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine (PubChem CID 12018230) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine.

Molecular Properties

Compound Name4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine
PubChem CID12018230
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC Name4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine
SMILESO=S(c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1)N1CCOCC1
InChIInChI=1S/C21H19FN4O3S/c22-17-6-2-1-4-15(17)14-26-21-16(5-3-9-23-21)20(24-26)18-7-8-19(29-18)30(27)25-10-12-28-13-11-25/h1-9H,10-14H2
InChIKeyYZESLRBKGMUECL-UHFFFAOYSA-N
XLogP3.23
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine with MolForge

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Related Compounds

4-(Furan-2-yl)-10-[2-[4-(6-methyl-3-pyridinyl)phenyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 44568316
3,4-dihydroquinolin-1(2H)-yl[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 1111054
[4-(3-Fluoro-benzoyl)-piperazin-1-yl]-(5-furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-methanone
CID 1164940
4-(Furan-2-yl)-1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9818556
A2A receptor antagonist 1
CID 9879687
4-(Furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9901099
7-(2-fluorobenzyl)-4-(2-furyl)-7H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 9904688
4-(Furan-2-yl)-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9944894
1-[(2,6-Difluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9967146
3-bromo-5-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 9976396
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 11952670

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine?
The IUPAC name of 4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine (CID 12018230) is 4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine.
What is the SMILES notation for 4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine?
The canonical SMILES for 4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine is O=S(c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1)N1CCOCC1.
What is the InChIKey of 4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine?
The InChIKey is YZESLRBKGMUECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c22-17-6-2-1-4-15(17)14-26-21-16(5-3-9-23-21)20(24-26)18-7-8-19(29-18)30(27)25-10-12-28-13-11-25/h1-9H,10-14H2.
What are the key properties of 4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine?
4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine has a molecular weight of 426.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine is sourced from PubChem (CID 12018230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).