6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

C22H24N6O2S2 — CID 58364597

IUPAC6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(C)(=O)=O
InChIInChI=1S/C22H24N6O2S2/c1-14-9-19(31-22(14)32(3,29)30)26-20-21-23-11-18(16-10-24-27(2)12-16)28(21)13-17(25-20)15-7-5-4-6-8-15/h7,9-13H,4-6,8H2,1-3H3,(H,25,26)
InChIKeySIWZFTRZZIMBGW-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.60
Rot. Bonds5

About 6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 58364597) has the molecular formula C22H24N6O2S2 and a molecular weight of 468.61 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID58364597
Molecular FormulaC22H24N6O2S2
Molecular Weight468.61 g/mol
Exact Mass468.14
IUPAC Name6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(C)(=O)=O
InChIInChI=1S/C22H24N6O2S2/c1-14-9-19(31-22(14)32(3,29)30)26-20-21-23-11-18(16-10-24-27(2)12-16)28(21)13-17(25-20)15-7-5-4-6-8-15/h7,9-13H,4-6,8H2,1-3H3,(H,25,26)
InChIKeySIWZFTRZZIMBGW-UHFFFAOYSA-N
XLogP4.60
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine
CID 56679965
3-[5-(1-Methylpyrazol-4-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 164614398
7-(1-Methylpyrazol-4-yl)-3-(5-pyridin-4-ylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 164616134
7-(1-Methylpyrazol-4-yl)-3-(5-pyridin-3-ylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 164625241
3-(1-Methyl-1H-pyrazol-4-yl)-N-(4-methyl-2-thienyl)imidazo[1,2-a]pyrazin-8-amine
CID 11558640
3-[5-(1-Methylpyrazol-4-yl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164609449
3-[5-(1-Methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 164626691
Flt3-IN-24
CID 169494215
US10479795, Example 479
CID 132260749
3-(1-Methylpyrazol-4-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine
CID 155556600
8-Methyl-3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164610901
N-[2-[4-(4-thiophen-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]ethyl]propane-1-sulfonamide
CID 164625764

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 58364597) is 6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(C)(=O)=O.
What is the InChIKey of 6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is SIWZFTRZZIMBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S2/c1-14-9-19(31-22(14)32(3,29)30)26-20-21-23-11-18(16-10-24-27(2)12-16)28(21)13-17(25-20)15-7-5-4-6-8-15/h7,9-13H,4-6,8H2,1-3H3,(H,25,26).
What are the key properties of 6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 468.61 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-yl)-N-(4-methyl-5-methylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 58364597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).