3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine

C16H16FN5O2S — CID 10383961

IUPAC3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine
SMILESO=S(=O)(c1cccc(F)c1)c1[nH]nc2c(N3CCNCC3)nccc12
InChIInChI=1S/C16H16FN5O2S/c17-11-2-1-3-12(10-11)25(23,24)16-13-4-5-19-15(14(13)20-21-16)22-8-6-18-7-9-22/h1-5,10,18H,6-9H2,(H,20,21)
InChIKeyCKMPJCOBKBWWOV-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.34
Rot. Bonds3

About 3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine

3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine (PubChem CID 10383961) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine
PubChem CID10383961
Molecular FormulaC16H16FN5O2S
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC Name3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine
SMILESO=S(=O)(c1cccc(F)c1)c1[nH]nc2c(N3CCNCC3)nccc12
InChIInChI=1S/C16H16FN5O2S/c17-11-2-1-3-12(10-11)25(23,24)16-13-4-5-19-15(14(13)20-21-16)22-8-6-18-7-9-22/h1-5,10,18H,6-9H2,(H,20,21)
InChIKeyCKMPJCOBKBWWOV-UHFFFAOYSA-N
XLogP1.34
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3-fluorophenyl)sulfonyl-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine;phosphoric acid
CID 68717491
2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide
CID 87290225
2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline
CID 18508958
3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole
CID 10292728
3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride
CID 10193970
3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole
CID 24752182
1-piperazin-1-ylisoquinolin-5-amine
CID 82570237
4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline
CID 71587769
N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide
CID 142692187
1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride
CID 67156863
2-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride
CID 10432882
7-(4-chlorophenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline
CID 10388412

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine (CID 10383961) is 3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine is O=S(=O)(c1cccc(F)c1)c1[nH]nc2c(N3CCNCC3)nccc12.
What is the InChIKey of 3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is CKMPJCOBKBWWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c17-11-2-1-3-12(10-11)25(23,24)16-13-4-5-19-15(14(13)20-21-16)22-8-6-18-7-9-22/h1-5,10,18H,6-9H2,(H,20,21).
What are the key properties of 3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine?
3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine has a molecular weight of 361.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonyl-7-piperazin-1-yl-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 10383961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).