5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine

C11H15N5O2S — CID 170685662

IUPAC5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCS(=O)(=O)N1CCN(c2cc3cn[nH]c3cn2)CC1
InChIInChI=1S/C11H15N5O2S/c1-19(17,18)16-4-2-15(3-5-16)11-6-9-7-13-14-10(9)8-12-11/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyKAJWUATXDDJXTA-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.04
Rot. Bonds2

About 5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine

5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 170685662) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID170685662
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCS(=O)(=O)N1CCN(c2cc3cn[nH]c3cn2)CC1
InChIInChI=1S/C11H15N5O2S/c1-19(17,18)16-4-2-15(3-5-16)11-6-9-7-13-14-10(9)8-12-11/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyKAJWUATXDDJXTA-UHFFFAOYSA-N
XLogP0.04
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 56922206
ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
CID 143863753
6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine
CID 78988806
6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78982341
[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 80914226
1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate
CID 175983862
1-chloro-3-(4-methylsulfonylpiperazin-1-yl)isoquinoline
CID 30756626
2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol
CID 163234389
2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 121072523
2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol
CID 163234422
4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine
CID 118346941
4-(4,5-dimethylimidazol-1-yl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 70704064

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine (CID 170685662) is 5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine is CS(=O)(=O)N1CCN(c2cc3cn[nH]c3cn2)CC1.
What is the InChIKey of 5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is KAJWUATXDDJXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-19(17,18)16-4-2-15(3-5-16)11-6-9-7-13-14-10(9)8-12-11/h6-8H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine?
5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 281.34 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 170685662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).