3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine

C19H19F2N5O2S — CID 122341720

IUPAC3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine
SMILESO=S(=O)(Cc1cc(F)ccc1F)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C19H19F2N5O2S/c20-16-3-4-17(21)15(13-16)14-29(27,28)26-11-9-25(10-12-26)19-6-5-18(22-23-19)24-7-1-2-8-24/h1-8,13H,9-12,14H2
InChIKeyMIJISZREURPEQV-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.20
Rot. Bonds5

About 3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine

3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine (PubChem CID 122341720) has the molecular formula C19H19F2N5O2S and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine
PubChem CID122341720
Molecular FormulaC19H19F2N5O2S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine
SMILESO=S(=O)(Cc1cc(F)ccc1F)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C19H19F2N5O2S/c20-16-3-4-17(21)15(13-16)14-29(27,28)26-11-9-25(10-12-26)19-6-5-18(22-23-19)24-7-1-2-8-24/h1-8,13H,9-12,14H2
InChIKeyMIJISZREURPEQV-UHFFFAOYSA-N
XLogP2.20
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 122334206
4-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 122332439
2-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333171
3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine
CID 122341744
4-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342117
6-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349232
1-[6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335071
3-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334779
N,N-dimethyl-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-sulfonamide
CID 71799944
6-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122349652
4-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342123
4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 122343153

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine?
The IUPAC name of 3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine (CID 122341720) is 3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine.
What is the SMILES notation for 3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine?
The canonical SMILES for 3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine is O=S(=O)(Cc1cc(F)ccc1F)N1CCN(c2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of 3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine?
The InChIKey is MIJISZREURPEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2S/c20-16-3-4-17(21)15(13-16)14-29(27,28)26-11-9-25(10-12-26)19-6-5-18(22-23-19)24-7-1-2-8-24/h1-8,13H,9-12,14H2.
What are the key properties of 3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine?
3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine has a molecular weight of 419.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine is sourced from PubChem (CID 122341720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).