N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine

C74H85N21O7S6 — CID 123704320

IUPACN-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCC1.Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCCC1.Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H29N7O3S2.C25H29N7O2S2.C24H27N7O2S2/c1-17-12-22(36-25(17)37(33,34)31-8-10-35-11-9-31)29-23-24-26-14-21(19-13-27-30(2)15-19)32(24)16-20(28-23)18-6-4-3-5-7-18;1-17-12-22(35-25(17)36(33,34)31-10-6-7-11-31)29-23-24-26-14-21(19-13-27-30(2)15-19)32(24)16-20(28-23)18-8-4-3-5-9-18;1-16-11-21(34-24(16)35(32,33)30-9-6-10-30)28-22-23-25-13-20(18-12-26-29(2)14-18)31(23)15-19(27-22)17-7-4-3-5-8-17/h6,12-16H,3-5,7-11H2,1-2H3,(H,28,29);8,12-16H,3-7,9-11H2,1-2H3,(H,28,29);7,11-15H,3-6,8-10H2,1-2H3,(H,27,28)
InChIKeyOMUUPKGBDLJEDW-UHFFFAOYSA-N
MW1573.04 g/mol
LogP13.80
Rot. Bonds18

About N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine

N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 123704320) has the molecular formula C74H85N21O7S6 and a molecular weight of 1573.04 g/mol. Its IUPAC name is N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID123704320
Molecular FormulaC74H85N21O7S6
Molecular Weight1573.04 g/mol
Exact Mass1571.53
IUPAC NameN-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCC1.Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCCC1.Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H29N7O3S2.C25H29N7O2S2.C24H27N7O2S2/c1-17-12-22(36-25(17)37(33,34)31-8-10-35-11-9-31)29-23-24-26-14-21(19-13-27-30(2)15-19)32(24)16-20(28-23)18-6-4-3-5-7-18;1-17-12-22(35-25(17)36(33,34)31-10-6-7-11-31)29-23-24-26-14-21(19-13-27-30(2)15-19)32(24)16-20(28-23)18-8-4-3-5-9-18;1-16-11-21(34-24(16)35(32,33)30-9-6-10-30)28-22-23-25-13-20(18-12-26-29(2)14-18)31(23)15-19(27-22)17-7-4-3-5-8-17/h6,12-16H,3-5,7-11H2,1-2H3,(H,28,29);8,12-16H,3-7,9-11H2,1-2H3,(H,28,29);7,11-15H,3-6,8-10H2,1-2H3,(H,27,28)
InChIKeyOMUUPKGBDLJEDW-UHFFFAOYSA-N
XLogP13.80
TPSA301.49 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.04
LogP ≤ 513.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine (CID 123704320) is N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine is Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCC1.Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCCC1.Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is OMUUPKGBDLJEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3S2.C25H29N7O2S2.C24H27N7O2S2/c1-17-12-22(36-25(17)37(33,34)31-8-10-35-11-9-31)29-23-24-26-14-21(19-13-27-30(2)15-19)32(24)16-20(28-23)18-6-4-3-5-7-18;1-17-12-22(35-25(17)36(33,34)31-10-6-7-11-31)29-23-24-26-14-21(19-13-27-30(2)15-19)32(24)16-20(28-23)18-8-4-3-5-9-18;1-16-11-21(34-24(16)35(32,33)30-9-6-10-30)28-22-23-25-13-20(18-12-26-29(2)14-18)31(23)15-19(27-22)17-7-4-3-5-8-17/h6,12-16H,3-5,7-11H2,1-2H3,(H,28,29);8,12-16H,3-7,9-11H2,1-2H3,(H,28,29);7,11-15H,3-6,8-10H2,1-2H3,(H,27,28).
What are the key properties of N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 1573.04 g/mol, XLogP of 13.80, 18 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 123704320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).