3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine

C20H19N5O2S — CID 10475675

IUPAC3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine
SMILESO=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(N3CCNCC3)nc12
InChIInChI=1S/C20H19N5O2S/c26-28(27,17-7-3-5-14-4-1-2-6-15(14)17)20-19-16(23-24-20)8-9-18(22-19)25-12-10-21-11-13-25/h1-9,21H,10-13H2,(H,23,24)
InChIKeySQIFJEVZRICDCI-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.35
Rot. Bonds3

About 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine

3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine (PubChem CID 10475675) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine
PubChem CID10475675
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine
SMILESO=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(N3CCNCC3)nc12
InChIInChI=1S/C20H19N5O2S/c26-28(27,17-7-3-5-14-4-1-2-6-15(14)17)20-19-16(23-24-20)8-9-18(22-19)25-12-10-21-11-13-25/h1-9,21H,10-13H2,(H,23,24)
InChIKeySQIFJEVZRICDCI-UHFFFAOYSA-N
XLogP2.35
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole
CID 143426591
3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride
CID 53319440
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
3-naphthalen-1-ylsulfonyl-5-(4-pyrrolidin-1-ylbutoxy)-2H-indazole
CID 68679898
3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride
CID 68681311
1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole
CID 10113365
4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine
CID 90743906
5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride
CID 68690371
tert-butyl N-[(3S)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-yl]carbamate
CID 45378932
methyl 3-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanoate
CID 68679834
5-(1-butylpyrrolidin-3-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole
CID 15981376
2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine
CID 58812067

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine (CID 10475675) is 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine is O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(N3CCNCC3)nc12.
What is the InChIKey of 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine?
The InChIKey is SQIFJEVZRICDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c26-28(27,17-7-3-5-14-4-1-2-6-15(14)17)20-19-16(23-24-20)8-9-18(22-19)25-12-10-21-11-13-25/h1-9,21H,10-13H2,(H,23,24).
What are the key properties of 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine?
3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine has a molecular weight of 393.47 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 10475675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).