5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine

C20H23N5O2S — CID 126798463

IUPAC5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(S(=O)(=O)N2CCN(c3cncc4ccccc34)CC2)cn1
InChIInChI=1S/C20H23N5O2S/c1-23(2)20-8-7-17(14-22-20)28(26,27)25-11-9-24(10-12-25)19-15-21-13-16-5-3-4-6-18(16)19/h3-8,13-15H,9-12H2,1-2H3
InChIKeyHJBSNHZIRAEEGH-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.21
Rot. Bonds4

About 5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine

5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine (PubChem CID 126798463) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine
PubChem CID126798463
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(S(=O)(=O)N2CCN(c3cncc4ccccc34)CC2)cn1
InChIInChI=1S/C20H23N5O2S/c1-23(2)20-8-7-17(14-22-20)28(26,27)25-11-9-24(10-12-25)19-15-21-13-16-5-3-4-6-18(16)19/h3-8,13-15H,9-12H2,1-2H3
InChIKeyHJBSNHZIRAEEGH-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 128542928
N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine
CID 100741484
N,N-dimethyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121053040
N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268282
N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 78805459
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053001
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9030317
N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133355540
5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 126803187
N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 134017977
4-(4-isoquinolin-4-ylpiperazin-1-yl)benzonitrile
CID 166208332

Frequently Asked Questions

What is the IUPAC name of 5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine (CID 126798463) is 5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(S(=O)(=O)N2CCN(c3cncc4ccccc34)CC2)cn1.
What is the InChIKey of 5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine?
The InChIKey is HJBSNHZIRAEEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-23(2)20-8-7-17(14-22-20)28(26,27)25-11-9-24(10-12-25)19-15-21-13-16-5-3-4-6-18(16)19/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of 5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine?
5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine has a molecular weight of 397.50 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 126798463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).