5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine

C16H20N8O2S — CID 66744360

IUPAC5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine
SMILESCCS(=O)(=O)N1CCN(c2cnc(N)c(-c3nc4ncccc4[nH]3)n2)CC1
InChIInChI=1S/C16H20N8O2S/c1-2-27(25,26)24-8-6-23(7-9-24)12-10-19-14(17)13(21-12)16-20-11-4-3-5-18-15(11)22-16/h3-5,10H,2,6-9H2,1H3,(H2,17,19)(H,18,20,22)
InChIKeyTZSVMSDKQFSWML-UHFFFAOYSA-N
MW388.46 g/mol
LogP0.47
Rot. Bonds4

About 5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine

5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine (PubChem CID 66744360) has the molecular formula C16H20N8O2S and a molecular weight of 388.46 g/mol. Its IUPAC name is 5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine
PubChem CID66744360
Molecular FormulaC16H20N8O2S
Molecular Weight388.46 g/mol
Exact Mass388.14
IUPAC Name5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine
SMILESCCS(=O)(=O)N1CCN(c2cnc(N)c(-c3nc4ncccc4[nH]3)n2)CC1
InChIInChI=1S/C16H20N8O2S/c1-2-27(25,26)24-8-6-23(7-9-24)12-10-19-14(17)13(21-12)16-20-11-4-3-5-18-15(11)22-16/h3-5,10H,2,6-9H2,1H3,(H2,17,19)(H,18,20,22)
InChIKeyTZSVMSDKQFSWML-UHFFFAOYSA-N
XLogP0.47
TPSA133.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen
CID 161182532
2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-1H-imidazo[4,5-b]pyridine
CID 123893986
1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 46199874
5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine
CID 141415440
5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen
CID 158309127
3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine
CID 46199405
N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide
CID 66744273
N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen
CID 159357802
1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
CID 87607314
4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen
CID 161154968
5-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90368194
3-amino-6-bromopyrazine-2-carbohydrazide;3-[3-(3-aminophenyl)-1H-1,2,4-triazol-5-yl]-5-bromopyrazin-2-amine;3-[3-(3-aminophenyl)-1H-1,2,4-triazol-5-yl]-5-(4-ethylsulfonylpiperazin-1-yl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate
CID 159225142

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine (CID 66744360) is 5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine is CCS(=O)(=O)N1CCN(c2cnc(N)c(-c3nc4ncccc4[nH]3)n2)CC1.
What is the InChIKey of 5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine?
The InChIKey is TZSVMSDKQFSWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O2S/c1-2-27(25,26)24-8-6-23(7-9-24)12-10-19-14(17)13(21-12)16-20-11-4-3-5-18-15(11)22-16/h3-5,10H,2,6-9H2,1H3,(H2,17,19)(H,18,20,22).
What are the key properties of 5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine?
5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine has a molecular weight of 388.46 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine is sourced from PubChem (CID 66744360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).