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

C21H21FN4O2S — CID 23381189

IUPAC5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide
SMILESCC(C)CNS(=O)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C21H21FN4O2S/c1-14(2)12-24-29(27)19-10-9-18(28-19)20-16-7-5-11-23-21(16)26(25-20)13-15-6-3-4-8-17(15)22/h3-11,14,24H,12-13H2,1-2H3
InChIKeyNGNBFZGUUDKMJW-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.15
Rot. Bonds7

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

5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide (PubChem CID 23381189) has the molecular formula C21H21FN4O2S and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide
PubChem CID23381189
Molecular FormulaC21H21FN4O2S
Molecular Weight412.49 g/mol
Exact Mass412.14
IUPAC Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide
SMILESCC(C)CNS(=O)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C21H21FN4O2S/c1-14(2)12-24-29(27)19-10-9-18(28-19)20-16-7-5-11-23-21(16)26(25-20)13-15-6-3-4-8-17(15)22/h3-11,14,24H,12-13H2,1-2H3
InChIKeyNGNBFZGUUDKMJW-UHFFFAOYSA-N
XLogP4.15
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4,6-diamino-5-(sulfinamoylamino)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
CID 130245216
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1-methylsulfinylethyl)pyrimidine-4,6-diamine
CID 157098050
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one
CID 157406847
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 131874918
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one
CID 135882265
6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
CID 71612612
3-(1-fluoroethyl)-6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrazin-2-amine
CID 151866830
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 58591865
5-[1-[(2-fluorophenyl)methyl]-6-oxo-7H-pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
CID 135763162
[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]methyl-methylcarbamic acid;methylsulfinylmethane
CID 67215793
2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid
CID 130229228
N-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123253972

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide (CID 23381189) is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide is CC(C)CNS(=O)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide?
The InChIKey is NGNBFZGUUDKMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2S/c1-14(2)12-24-29(27)19-10-9-18(28-19)20-16-7-5-11-23-21(16)26(25-20)13-15-6-3-4-8-17(15)22/h3-11,14,24H,12-13H2,1-2H3.
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide?
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methylpropyl)furan-2-sulfinamide has a molecular weight of 412.49 g/mol, XLogP of 4.15, 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-(2-methylpropyl)furan-2-sulfinamide is sourced from PubChem (CID 23381189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).