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

C24H28N6O2S2 — CID 58364831

IUPAC6-(cyclohexen-1-yl)-N-(4-methyl-5-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)C(C)C
InChIInChI=1S/C24H28N6O2S2/c1-15(2)34(31,32)24-16(3)10-21(33-24)28-22-23-25-12-20(18-11-26-29(4)13-18)30(23)14-19(27-22)17-8-6-5-7-9-17/h8,10-15H,5-7,9H2,1-4H3,(H,27,28)
InChIKeySIBOARYJBRWZAC-UHFFFAOYSA-N
MW496.66 g/mol
LogP5.38
Rot. Bonds6

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

6-(cyclohexen-1-yl)-N-(4-methyl-5-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 58364831) has the molecular formula C24H28N6O2S2 and a molecular weight of 496.66 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-N-(4-methyl-5-propan-2-ylsulfonylthiophen-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-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID58364831
Molecular FormulaC24H28N6O2S2
Molecular Weight496.66 g/mol
Exact Mass496.17
IUPAC Name6-(cyclohexen-1-yl)-N-(4-methyl-5-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)C(C)C
InChIInChI=1S/C24H28N6O2S2/c1-15(2)34(31,32)24-16(3)10-21(33-24)28-22-23-25-12-20(18-11-26-29(4)13-18)30(23)14-19(27-22)17-8-6-5-7-9-17/h8,10-15H,5-7,9H2,1-4H3,(H,27,28)
InChIKeySIBOARYJBRWZAC-UHFFFAOYSA-N
XLogP5.38
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 55.38
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
3-(1-Methyl-1H-pyrazol-4-yl)-N-(4-methyl-2-thienyl)imidazo[1,2-a]pyrazin-8-amine
CID 11558640
8-Propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11771684
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
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
4-methyl-N-[1-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]thiophene-2-sulfonamide
CID 90114445
6-(1-Methylpyrazol-4-yl)-3-(3-thienyl)imidazo [1,2-a]pyrazine
CID 126672956

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-N-(4-methyl-5-propan-2-ylsulfonylthiophen-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-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 58364831) is 6-(cyclohexen-1-yl)-N-(4-methyl-5-propan-2-ylsulfonylthiophen-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-propan-2-ylsulfonylthiophen-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-propan-2-ylsulfonylthiophen-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(=O)(=O)C(C)C.
What is the InChIKey of 6-(cyclohexen-1-yl)-N-(4-methyl-5-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is SIBOARYJBRWZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S2/c1-15(2)34(31,32)24-16(3)10-21(33-24)28-22-23-25-12-20(18-11-26-29(4)13-18)30(23)14-19(27-22)17-8-6-5-7-9-17/h8,10-15H,5-7,9H2,1-4H3,(H,27,28).
What are the key properties of 6-(cyclohexen-1-yl)-N-(4-methyl-5-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
6-(cyclohexen-1-yl)-N-(4-methyl-5-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 496.66 g/mol, XLogP of 5.38, 6 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-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 58364831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).