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-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate

C96H108N24O8S6 — CID 123731226

IUPAC6-(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-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C.CCOC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C(C)C.Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)C(C)C.Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(C)(=O)=O
InChIInChI=1S/C26H30N6O2S.C24H28N6O2S2.C24H26N6O2S.C22H24N6O2S2/c1-5-34-26(33)23-19(16(2)3)11-22(35-23)30-24-25-27-13-21(18-12-28-31(4)14-18)32(25)15-20(29-24)17-9-7-6-8-10-17;1-15(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;1-4-32-24(31)21-15(2)10-20(33-21)28-22-23-25-12-19(17-11-26-29(3)13-17)30(23)14-18(27-22)16-8-6-5-7-9-16;1-14-9-19(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/h9,11-16H,5-8,10H2,1-4H3,(H,29,30);8,10-15H,5-7,9H2,1-4H3,(H,27,28);8,10-14H,4-7,9H2,1-3H3,(H,27,28);7,9-13H,4-6,8H2,1-3H3,(H,25,26)
InChIKeyLJEDHAUGXCETAR-UHFFFAOYSA-N
MW1918.48 g/mol
LogP21.56
Rot. Bonds24

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-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate

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-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate (PubChem CID 123731226) has the molecular formula C96H108N24O8S6 and a molecular weight of 1918.48 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;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;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate.

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;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;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate
PubChem CID123731226
Molecular FormulaC96H108N24O8S6
Molecular Weight1918.48 g/mol
Exact Mass1916.71
IUPAC Name6-(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-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C.CCOC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C(C)C.Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)C(C)C.Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(C)(=O)=O
InChIInChI=1S/C26H30N6O2S.C24H28N6O2S2.C24H26N6O2S.C22H24N6O2S2/c1-5-34-26(33)23-19(16(2)3)11-22(35-23)30-24-25-27-13-21(18-12-28-31(4)14-18)32(25)15-20(29-24)17-9-7-6-8-10-17;1-15(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;1-4-32-24(31)21-15(2)10-20(33-21)28-22-23-25-12-19(17-11-26-29(3)13-17)30(23)14-18(27-22)16-8-6-5-7-9-16;1-14-9-19(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/h9,11-16H,5-8,10H2,1-4H3,(H,29,30);8,10-15H,5-7,9H2,1-4H3,(H,27,28);8,10-14H,4-7,9H2,1-3H3,(H,27,28);7,9-13H,4-6,8H2,1-3H3,(H,25,26)
InChIKeyLJEDHAUGXCETAR-UHFFFAOYSA-N
XLogP21.56
TPSA361.04 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001918.48
LogP ≤ 521.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze 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-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate with MolForge

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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;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;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate?
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;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;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate (CID 123731226) is 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-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate.
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;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;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate?
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;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;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate is CCOC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C.CCOC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C(C)C.Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)C(C)C.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;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;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate?
The InChIKey is LJEDHAUGXCETAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2S.C24H28N6O2S2.C24H26N6O2S.C22H24N6O2S2/c1-5-34-26(33)23-19(16(2)3)11-22(35-23)30-24-25-27-13-21(18-12-28-31(4)14-18)32(25)15-20(29-24)17-9-7-6-8-10-17;1-15(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;1-4-32-24(31)21-15(2)10-20(33-21)28-22-23-25-12-19(17-11-26-29(3)13-17)30(23)14-18(27-22)16-8-6-5-7-9-16;1-14-9-19(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/h9,11-16H,5-8,10H2,1-4H3,(H,29,30);8,10-15H,5-7,9H2,1-4H3,(H,27,28);8,10-14H,4-7,9H2,1-3H3,(H,27,28);7,9-13H,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-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate?
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-propan-2-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate has a molecular weight of 1918.48 g/mol, XLogP of 21.56, 24 rotatable bonds, 4 hydrogen bond donors, and 36 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;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;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate;ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 123731226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).