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

C23H16ClFN4O2S — CID 12018237

IUPACN-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
SMILESO=S(Nc1cccc(Cl)c1)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C23H16ClFN4O2S/c24-16-6-3-7-17(13-16)28-32(30)21-11-10-20(31-21)22-18-8-4-12-26-23(18)29(27-22)14-15-5-1-2-9-19(15)25/h1-13,28H,14H2
InChIKeyBVLMMQZOWIYIIK-UHFFFAOYSA-N
MW466.93 g/mol
LogP5.67
Rot. Bonds6

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

N-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide (PubChem CID 12018237) has the molecular formula C23H16ClFN4O2S and a molecular weight of 466.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
PubChem CID12018237
Molecular FormulaC23H16ClFN4O2S
Molecular Weight466.93 g/mol
Exact Mass466.07
IUPAC NameN-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
SMILESO=S(Nc1cccc(Cl)c1)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C23H16ClFN4O2S/c24-16-6-3-7-17(13-16)28-32(30)21-11-10-20(31-21)22-18-8-4-12-26-23(18)29(27-22)14-15-5-1-2-9-19(15)25/h1-13,28H,14H2
InChIKeyBVLMMQZOWIYIIK-UHFFFAOYSA-N
XLogP5.67
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.93
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-Chlorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015532
1-[(2-Chlorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015516
3-(4-Chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 7711493
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
N-[(3-chlorophenyl)methyl]-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 49790367
N-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3448888
N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 9630588
N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
CID 10024466
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 N-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The IUPAC name of N-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide (CID 12018237) is N-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The canonical SMILES for N-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide is O=S(Nc1cccc(Cl)c1)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1.
What is the InChIKey of N-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The InChIKey is BVLMMQZOWIYIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN4O2S/c24-16-6-3-7-17(13-16)28-32(30)21-11-10-20(31-21)22-18-8-4-12-26-23(18)29(27-22)14-15-5-1-2-9-19(15)25/h1-13,28H,14H2.
What are the key properties of N-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
N-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide has a molecular weight of 466.93 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide is sourced from PubChem (CID 12018237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).