5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide

C17H13FN4O3S — CID 135763162

IUPAC5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
SMILESNS(=O)c1ccc(-c2nn(Cc3ccccc3F)c3[nH]c(=O)ccc23)o1
InChIInChI=1S/C17H13FN4O3S/c18-12-4-2-1-3-10(12)9-22-17-11(5-7-14(23)20-17)16(21-22)13-6-8-15(25-13)26(19)24/h1-8H,9,19H2,(H,20,23)
InChIKeyOOAZMYWERJSEBF-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.15
Rot. Bonds4

About 5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide

5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide (PubChem CID 135763162) has the molecular formula C17H13FN4O3S and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
PubChem CID135763162
Molecular FormulaC17H13FN4O3S
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC Name5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
SMILESNS(=O)c1ccc(-c2nn(Cc3ccccc3F)c3[nH]c(=O)ccc23)o1
InChIInChI=1S/C17H13FN4O3S/c18-12-4-2-1-3-10(12)9-22-17-11(5-7-14(23)20-17)16(21-22)13-6-8-15(25-13)26(19)24/h1-8H,9,19H2,(H,20,23)
InChIKeyOOAZMYWERJSEBF-UHFFFAOYSA-N
XLogP2.15
TPSA106.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide
CID 23381189
1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 137155270
3-[5-(1,3-dioxan-2-yl)furan-2-yl]-1-[(2-fluorophenyl)methyl]indazol-5-amine
CID 21334482
3-[4,6-diamino-5-(sulfinamoylamino)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
CID 130245216
[5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol
CID 23381185
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one
CID 135882265
6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368
[5-[1-[(2,4-difluorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 90666918
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one
CID 157406847
2-[(2-fluorophenyl)methyl]-6-phenylpyridazin-3-one
CID 6461113
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579366
N'-[4-amino-1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-N,N-dimethylmethanimidamide
CID 23381207

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide (CID 135763162) is 5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide is NS(=O)c1ccc(-c2nn(Cc3ccccc3F)c3[nH]c(=O)ccc23)o1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The InChIKey is OOAZMYWERJSEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3S/c18-12-4-2-1-3-10(12)9-22-17-11(5-7-14(23)20-17)16(21-22)13-6-8-15(25-13)26(19)24/h1-8H,9,19H2,(H,20,23).
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide has a molecular weight of 372.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide is sourced from PubChem (CID 135763162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).