6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine

C21H21FN10O2S — CID 122351561

IUPAC6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)c(-c5nn[nH]n5)c4)CC3)nn2)nc1
InChIInChI=1S/C21H21FN10O2S/c1-14-2-5-18(23-13-14)24-19-6-7-20(26-25-19)31-8-10-32(11-9-31)35(33,34)15-3-4-17(22)16(12-15)21-27-29-30-28-21/h2-7,12-13H,8-11H2,1H3,(H,23,24,25)(H,27,28,29,30)
InChIKeyQXLXXAYJAHVFGL-UHFFFAOYSA-N
MW496.53 g/mol
LogP1.75
Rot. Bonds6

About 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine

6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine (PubChem CID 122351561) has the molecular formula C21H21FN10O2S and a molecular weight of 496.53 g/mol. Its IUPAC name is 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
PubChem CID122351561
Molecular FormulaC21H21FN10O2S
Molecular Weight496.53 g/mol
Exact Mass496.16
IUPAC Name6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)c(-c5nn[nH]n5)c4)CC3)nn2)nc1
InChIInChI=1S/C21H21FN10O2S/c1-14-2-5-18(23-13-14)24-19-6-7-20(26-25-19)31-8-10-32(11-9-31)35(33,34)15-3-4-17(22)16(12-15)21-27-29-30-28-21/h2-7,12-13H,8-11H2,1H3,(H,23,24,25)(H,27,28,29,30)
InChIKeyQXLXXAYJAHVFGL-UHFFFAOYSA-N
XLogP1.75
TPSA145.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine with MolForge

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 122339408
6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122349687
6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 122334241
N-(5-methyl-2-pyridinyl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 56922339
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351519
4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122355814
6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351536
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710
N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122351537
6-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347522
N-[3-methyl-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 122351544
N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122351509

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine?
The IUPAC name of 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine (CID 122351561) is 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine?
The canonical SMILES for 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine is Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)c(-c5nn[nH]n5)c4)CC3)nn2)nc1.
What is the InChIKey of 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine?
The InChIKey is QXLXXAYJAHVFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN10O2S/c1-14-2-5-18(23-13-14)24-19-6-7-20(26-25-19)31-8-10-32(11-9-31)35(33,34)15-3-4-17(22)16(12-15)21-27-29-30-28-21/h2-7,12-13H,8-11H2,1H3,(H,23,24,25)(H,27,28,29,30).
What are the key properties of 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine?
6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine has a molecular weight of 496.53 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 122351561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).