3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid

C19H23N5O4S — CID 160703088

IUPAC3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid
SMILESCCc1nn(S(=O)(=O)c2cccnc2)c2cc(N3CCNCC3)ccc12.O=CO
InChIInChI=1S/C18H21N5O2S.CH2O2/c1-2-17-16-6-5-14(22-10-8-19-9-11-22)12-18(16)23(21-17)26(24,25)15-4-3-7-20-13-15;2-1-3/h3-7,12-13,19H,2,8-11H2,1H3;1H,(H,2,3)
InChIKeyRQWLCBFJTBVPBE-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.34
Rot. Bonds4

About 3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid

3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid (PubChem CID 160703088) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid.

Molecular Properties

Compound Name3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid
PubChem CID160703088
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid
SMILESCCc1nn(S(=O)(=O)c2cccnc2)c2cc(N3CCNCC3)ccc12.O=CO
InChIInChI=1S/C18H21N5O2S.CH2O2/c1-2-17-16-6-5-14(22-10-8-19-9-11-22)12-18(16)23(21-17)26(24,25)15-4-3-7-20-13-15;2-1-3/h3-7,12-13,19H,2,8-11H2,1H3;1H,(H,2,3)
InChIKeyRQWLCBFJTBVPBE-UHFFFAOYSA-N
XLogP1.34
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-6-piperazin-1-ylindazole
CID 25130686
1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole
CID 23627510
formic acid;6-(4-methyl-1,4-diazepan-1-yl)-1-pyridin-3-ylsulfonylindole
CID 158586511
formic acid;3-(6-piperazin-1-ylindazol-1-yl)sulfonylquinoline
CID 158933529
formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol
CID 143738633
7-(3-ethyl-6-piperazin-1-ylindol-1-yl)sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formic acid
CID 158801869
formic acid;7-methoxy-3-piperazin-1-yl-1-pyridin-3-ylsulfonylpyrrolo[3,2-b]pyridine
CID 159173181
4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole
CID 22015332
1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid
CID 158369892
1-piperazin-1-yl-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120982459
3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride
CID 67448706
1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine
CID 66195772

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid?
The IUPAC name of 3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid (CID 160703088) is 3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid.
What is the SMILES notation for 3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid?
The canonical SMILES for 3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid is CCc1nn(S(=O)(=O)c2cccnc2)c2cc(N3CCNCC3)ccc12.O=CO.
What is the InChIKey of 3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid?
The InChIKey is RQWLCBFJTBVPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S.CH2O2/c1-2-17-16-6-5-14(22-10-8-19-9-11-22)12-18(16)23(21-17)26(24,25)15-4-3-7-20-13-15;2-1-3/h3-7,12-13,19H,2,8-11H2,1H3;1H,(H,2,3).
What are the key properties of 3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid?
3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid has a molecular weight of 417.49 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-piperazin-1-yl-1-pyridin-3-ylsulfonylindazole;formic acid is sourced from PubChem (CID 160703088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).