3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine

C17H16N6O2S — CID 16666225

IUPAC3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4ccc(S(C)(=O)=O)cc4)nccn23)cn1
InChIInChI=1S/C17H16N6O2S/c1-22-11-12(9-20-22)15-10-19-17-16(18-7-8-23(15)17)21-13-3-5-14(6-4-13)26(2,24)25/h3-11H,1-2H3,(H,18,21)
InChIKeyZXQRGHXNCAGOPZ-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.28
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine

3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 16666225) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID16666225
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4ccc(S(C)(=O)=O)cc4)nccn23)cn1
InChIInChI=1S/C17H16N6O2S/c1-22-11-12(9-20-22)15-10-19-17-16(18-7-8-23(15)17)21-13-3-5-14(6-4-13)26(2,24)25/h3-11H,1-2H3,(H,18,21)
InChIKeyZXQRGHXNCAGOPZ-UHFFFAOYSA-N
XLogP2.28
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 25192302
3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 16666222
3-(1-methylpyrazol-4-yl)-N-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 143803554
ethane;3-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[1,2-a]pyrazin-8-amine
CID 143464724
3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 143460489
3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;4-[(3-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N,N-dimethylbenzenesulfonamide;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 161054688
3-(1-chloropyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143461051
3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 58873897
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 24857259
3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylimidazo[1,2-a]pyrazin-8-amine
CID 25192439
3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid
CID 71196606
3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 58873815

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 16666225) is 3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine is Cn1cc(-c2cnc3c(Nc4ccc(S(C)(=O)=O)cc4)nccn23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is ZXQRGHXNCAGOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-22-11-12(9-20-22)15-10-19-17-16(18-7-8-23(15)17)21-13-3-5-14(6-4-13)26(2,24)25/h3-11H,1-2H3,(H,18,21).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine?
3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 368.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 16666225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).