5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide

C28H21FN4O2S — CID 12018234

IUPAC5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide
SMILESO=S(NCc1cccc2ccccc12)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C28H21FN4O2S/c29-24-13-4-2-8-21(24)18-33-28-23(12-6-16-30-28)27(32-33)25-14-15-26(35-25)36(34)31-17-20-10-5-9-19-7-1-3-11-22(19)20/h1-16,31H,17-18H2
InChIKeyCSOFRPOTTUTTKA-UHFFFAOYSA-N
MW496.57 g/mol
LogP5.84
Rot. Bonds7

About 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide

5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide (PubChem CID 12018234) has the molecular formula C28H21FN4O2S and a molecular weight of 496.57 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide
PubChem CID12018234
Molecular FormulaC28H21FN4O2S
Molecular Weight496.57 g/mol
Exact Mass496.14
IUPAC Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide
SMILESO=S(NCc1cccc2ccccc12)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C28H21FN4O2S/c29-24-13-4-2-8-21(24)18-33-28-23(12-6-16-30-28)27(32-33)25-14-15-26(35-25)36(34)31-17-20-10-5-9-19-7-1-3-11-22(19)20/h1-16,31H,17-18H2
InChIKeyCSOFRPOTTUTTKA-UHFFFAOYSA-N
XLogP5.84
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

A2A receptor antagonist 1
CID 9879687
2-Ethyl-3-(4-fluorophenyl)-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 8034758
3-(4-Fluorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 8030504
1-(2-Fluorobenzyl)-3-(2-furyl)pyrazolo[3,4-b]pyridine
CID 12018224
5-[1-[(2-Fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfonamide
CID 44378687
7-(1-Benzofuran-2-YL)-2-[(3,5-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-A]pyrimidine
CID 75465916
7-(1-Benzofuran-2-YL)-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-A]pyrimidine
CID 75465977
N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
CID 10024466
1-[(2-Fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 12018223
1-(2-Fluorobenzyl)-3-[5chlorosulphinylfuran2-yl]pyrazolo[3,4-b]-pyridine
CID 12018227
1-[(2-Fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine
CID 12018228
N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
CID 12018229

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide (CID 12018234) is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide is O=S(NCc1cccc2ccccc12)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide?
The InChIKey is CSOFRPOTTUTTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN4O2S/c29-24-13-4-2-8-21(24)18-33-28-23(12-6-16-30-28)27(32-33)25-14-15-26(35-25)36(34)31-17-20-10-5-9-19-7-1-3-11-22(19)20/h1-16,31H,17-18H2.
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide?
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide has a molecular weight of 496.57 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 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]-N-(naphthalen-1-ylmethyl)furan-2-sulfinamide is sourced from PubChem (CID 12018234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).