6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine

C17H18N4O2S — CID 110118652

IUPAC6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCCC(c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C17H18N4O2S/c22-24(23,15-6-2-1-3-7-15)21-10-4-5-14(12-21)16-9-8-13-11-18-20-17(13)19-16/h1-3,6-9,11,14H,4-5,10,12H2,(H,18,19,20)
InChIKeyONFXVYBFINRNQV-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.53
Rot. Bonds3

About 6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine

6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine (PubChem CID 110118652) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
PubChem CID110118652
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCCC(c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C17H18N4O2S/c22-24(23,15-6-2-1-3-7-15)21-10-4-5-14(12-21)16-9-8-13-11-18-20-17(13)19-16/h1-3,6-9,11,14H,4-5,10,12H2,(H,18,19,20)
InChIKeyONFXVYBFINRNQV-UHFFFAOYSA-N
XLogP2.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 125027092
3-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 27518341
6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 125001236
(4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124981162
3-(2-fluorophenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
CID 110118717
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
2-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124941129
(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 110118701
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 110118592
6-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 124986558

Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine (CID 110118652) is 6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine is O=S(=O)(c1ccccc1)N1CCCC(c2ccc3cn[nH]c3n2)C1.
What is the InChIKey of 6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is ONFXVYBFINRNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-24(23,15-6-2-1-3-7-15)21-10-4-5-14(12-21)16-9-8-13-11-18-20-17(13)19-16/h1-3,6-9,11,14H,4-5,10,12H2,(H,18,19,20).
What are the key properties of 6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine?
6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 342.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 110118652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).