3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid

C10H9N5O2S — CID 71197167

IUPAC3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid
SMILESCn1cc(-c2cnc3c(S(=O)O)nccn23)cn1
InChIInChI=1S/C10H9N5O2S/c1-14-6-7(4-13-14)8-5-12-9-10(18(16)17)11-2-3-15(8)9/h2-6H,1H3,(H,16,17)
InChIKeyCFICTQHHBDJLGZ-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.71
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid

3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid (PubChem CID 71197167) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid
PubChem CID71197167
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid
SMILESCn1cc(-c2cnc3c(S(=O)O)nccn23)cn1
InChIInChI=1S/C10H9N5O2S/c1-14-6-7(4-13-14)8-5-12-9-10(18(16)17)11-2-3-15(8)9/h2-6H,1H3,(H,16,17)
InChIKeyCFICTQHHBDJLGZ-UHFFFAOYSA-N
XLogP0.71
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid
CID 71196606
(methylideneamino) N'-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]carbamimidothioate
CID 89358391
3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 16666225
3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylimidazo[1,2-a]pyrazin-8-amine
CID 25192439
N-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 25192302
N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 126469219
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-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 58873815
8-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155842692
3-(1-methylpyrazol-4-yl)-8-methylsulfanylimidazo[1,2-a]pyrazine-6-carboxamide
CID 143461208
3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155844118
3-(1-methylpyrazol-4-yl)-N-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 143803554

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid?
The IUPAC name of 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid (CID 71197167) is 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid is Cn1cc(-c2cnc3c(S(=O)O)nccn23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid?
The InChIKey is CFICTQHHBDJLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c1-14-6-7(4-13-14)8-5-12-9-10(18(16)17)11-2-3-15(8)9/h2-6H,1H3,(H,16,17).
What are the key properties of 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid?
3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid has a molecular weight of 263.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinic acid is sourced from PubChem (CID 71197167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).