1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one

C156H182N26O8S6 — CID 158911683

About 1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one

1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one (PubChem CID 158911683) has the molecular formula C156H182N26O8S6 and a molecular weight of 2741.75 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one.

Molecular Properties

• Compound Name: 1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one
• PubChem CID: 158911683
• Molecular Formula: C156H182N26O8S6
• Molecular Weight: 2741.75 g/mol
• Exact Mass: 2739.30
• IUPAC Name: 1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one
• SMILES: CCCCC(CC(=O)c1cnc(N2CCC3=NCC(C)=C3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCc3occ(C)c3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCc3occ(C)c3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3cccc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3nc(C)nc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3ncnc3C2)s1)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C27H32N4OS.2C27H31N3O2S.C26H30N4OS.C25H30N6OS.C24H28N6OS/c1-3-4-7-19(12-20-15-29-23-9-6-5-8-21(20)23)13-25(32)26-16-30-27(33-26)31-11-10-24-22(17-31)18(2)14-28-24;2*1-3-4-7-19(12-20-14-28-23-9-6-5-8-21(20)23)13-24(31)26-15-29-27(33-26)30-11-10-25-22(16-30)18(2)17-32-25;1-2-3-7-19(14-20-16-27-23-10-5-4-9-22(20)23)15-24(31)25-17-28-26(32-25)30-13-12-29-11-6-8-21(29)18-30;1-3-4-7-18(12-19-14-26-21-9-6-5-8-20(19)21)13-22(32)23-15-27-25(33-23)30-10-11-31-24(16-30)28-17(2)29-31;1-2-3-6-17(11-18-13-25-20-8-5-4-7-19(18)20)12-21(31)22-14-26-24(32-22)29-9-10-30-23(15-29)27-16-28-30/h5-6,8-9,15-16,19,29H,3-4,7,10-14,17H2,1-2H3;2*5-6,8-9,14-15,17,19,28H,3-4,7,10-13,16H2,1-2H3;4-6,8-11,16-17,19,27H,2-3,7,12-15,18H2,1H3;5-6,8-9,14-15,18,26H,3-4,7,10-13,16H2,1-2H3;4-5,7-8,13-14,16-17,25H,2-3,6,9-12,15H2,1H3
• InChIKey: JGSQMWACVOTJAC-UHFFFAOYSA-N
• XLogP: 35.74
• TPSA: 398.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 54
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2741.75
LogP ≤ 5	35.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one?

The IUPAC name of 1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one (CID 158911683) is 1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one.

What is the SMILES notation for 1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one?

The canonical SMILES for 1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one is CCCCC(CC(=O)c1cnc(N2CCC3=NCC(C)=C3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCc3occ(C)c3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCc3occ(C)c3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3cccc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3nc(C)nc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3ncnc3C2)s1)Cc1c[nH]c2ccccc12.

What is the InChIKey of 1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one?

The InChIKey is JGSQMWACVOTJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4OS.2C27H31N3O2S.C26H30N4OS.C25H30N6OS.C24H28N6OS/c1-3-4-7-19(12-20-15-29-23-9-6-5-8-21(20)23)13-25(32)26-16-30-27(33-26)31-11-10-24-22(17-31)18(2)14-28-24;2*1-3-4-7-19(12-20-14-28-23-9-6-5-8-21(20)23)13-24(31)26-15-29-27(33-26)30-11-10-25-22(16-30)18(2)17-32-25;1-2-3-7-19(14-20-16-27-23-10-5-4-9-22(20)23)15-24(31)25-17-28-26(32-25)30-13-12-29-11-6-8-21(29)18-30;1-3-4-7-18(12-19-14-26-21-9-6-5-8-20(19)21)13-22(32)23-15-27-25(33-23)30-10-11-31-24(16-30)28-17(2)29-31;1-2-3-6-17(11-18-13-25-20-8-5-4-7-19(18)20)12-21(31)22-14-26-24(32-22)29-9-10-30-23(15-29)27-16-28-30/h5-6,8-9,15-16,19,29H,3-4,7,10-14,17H2,1-2H3;2*5-6,8-9,14-15,17,19,28H,3-4,7,10-13,16H2,1-2H3;4-6,8-11,16-17,19,27H,2-3,7,12-15,18H2,1H3;5-6,8-9,14-15,18,26H,3-4,7,10-13,16H2,1-2H3;4-5,7-8,13-14,16-17,25H,2-3,6,9-12,15H2,1H3.

What are the key properties of 1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one?

1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one has a molecular weight of 2741.75 g/mol, XLogP of 35.74, 54 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one is sourced from PubChem (CID 158911683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).