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

C24H19FN4O2S — CID 12018229

IUPACN-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
SMILESO=S(NCc1ccccc1)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C24H19FN4O2S/c25-20-11-5-4-9-18(20)16-29-24-19(10-6-14-26-24)23(28-29)21-12-13-22(31-21)32(30)27-15-17-7-2-1-3-8-17/h1-14,27H,15-16H2
InChIKeyLDBPLTNYTAMVKP-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.69
Rot. Bonds7

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

N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide (PubChem CID 12018229) has the molecular formula C24H19FN4O2S and a molecular weight of 446.51 g/mol. Its IUPAC name is N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide.

Molecular Properties

Compound NameN-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
PubChem CID12018229
Molecular FormulaC24H19FN4O2S
Molecular Weight446.51 g/mol
Exact Mass446.12
IUPAC NameN-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
SMILESO=S(NCc1ccccc1)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C24H19FN4O2S/c25-20-11-5-4-9-18(20)16-29-24-19(10-6-14-26-24)23(28-29)21-12-13-22(31-21)32(30)27-15-17-7-2-1-3-8-17/h1-14,27H,15-16H2
InChIKeyLDBPLTNYTAMVKP-UHFFFAOYSA-N
XLogP4.69
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560
4-(Furan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015485
4-(Furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015494
1-(3-Aminobenzyl)-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015499
1-[(2-Aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015508
4-(2-Furyl)-N-(2-hydroxyethyl)-1-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015525

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The IUPAC name of N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide (CID 12018229) is N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide.
What is the SMILES notation for N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The canonical SMILES for N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide is O=S(NCc1ccccc1)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1.
What is the InChIKey of N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The InChIKey is LDBPLTNYTAMVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2S/c25-20-11-5-4-9-18(20)16-29-24-19(10-6-14-26-24)23(28-29)21-12-13-22(31-21)32(30)27-15-17-7-2-1-3-8-17/h1-14,27H,15-16H2.
What are the key properties of N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide has a molecular weight of 446.51 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide is sourced from PubChem (CID 12018229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).