1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine

C23H23FN4O2S — CID 23381203

IUPAC1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine
SMILESCN1CCC(S(=O)c2ccc(-c3nn(Cc4ccccc4F)c4ncccc34)o2)CC1
InChIInChI=1S/C23H23FN4O2S/c1-27-13-10-17(11-14-27)31(29)21-9-8-20(30-21)22-18-6-4-12-25-23(18)28(26-22)15-16-5-2-3-7-19(16)24/h2-9,12,17H,10-11,13-15H2,1H3
InChIKeyGMURAVGLOXOFCS-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.08
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine

1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine (PubChem CID 23381203) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine
PubChem CID23381203
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine
SMILESCN1CCC(S(=O)c2ccc(-c3nn(Cc4ccccc4F)c4ncccc34)o2)CC1
InChIInChI=1S/C23H23FN4O2S/c1-27-13-10-17(11-14-27)31(29)21-9-8-20(30-21)22-18-6-4-12-25-23(18)28(26-22)15-16-5-2-3-7-19(16)24/h2-9,12,17H,10-11,13-15H2,1H3
InChIKeyGMURAVGLOXOFCS-UHFFFAOYSA-N
XLogP4.08
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 23546899
US11312705, Example 8
CID 142426989
N-(furan-2-ylmethyl)-3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 3435520
2-Ethyl-3-(4-fluorophenyl)-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 8034758
1-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-2-ylpiperazine
CID 16187231
4-(Furan-2-yl)-1-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 44449308
4-(1-Benzofuran-2-yl)-2-[1-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166627360
3-(4-Fluorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 8030504
6-(Furan-2-yl)-3-((pyridin-3-ylmethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194915
1-(2-Fluorobenzyl)-3-(2-furyl)pyrazolo[3,4-b]pyridine
CID 12018224
4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015529
N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl-methyl-oxo-lambda6-sulfanylidene]-2,2,2-trifluoroacetamide
CID 71534711

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine (CID 23381203) is 1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine is CN1CCC(S(=O)c2ccc(-c3nn(Cc4ccccc4F)c4ncccc34)o2)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is GMURAVGLOXOFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-27-13-10-17(11-14-27)31(29)21-9-8-20(30-21)22-18-6-4-12-25-23(18)28(26-22)15-16-5-2-3-7-19(16)24/h2-9,12,17H,10-11,13-15H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine?
1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 438.53 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[5-(1-methylpiperidin-4-yl)sulfinylfuran-2-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 23381203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).