About 1-[2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4,6,7,7a-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazol-5-yl]heptan-1-one
1-[2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4,6,7,7a-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazol-5-yl]heptan-1-one (PubChem CID 158263171) has the molecular formula C148H174N32O6S6
and a molecular weight of 2689.64 g/mol. Its IUPAC name is 1-[2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4,6,7,7a-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazol-5-yl]heptan-1-one.
Frequently Asked Questions
What is the IUPAC name of 1-[2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4,6,7,7a-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazol-5-yl]heptan-1-one?
The IUPAC name of 1-[2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4,6,7,7a-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazol-5-yl]heptan-1-one (CID 158263171) is 1-[2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4,6,7,7a-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazol-5-yl]heptan-1-one.
What is the SMILES notation for 1-[2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4,6,7,7a-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazol-5-yl]heptan-1-one?
The canonical SMILES for 1-[2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4,6,7,7a-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazol-5-yl]heptan-1-one is CCCCC(CC(=O)c1cnc(N2CCC3N=NC=C3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3cnnc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3nc(C)cc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3nncc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2Cc3cnn(C)c3C2)s1)Cc1c[nH]c2ccccc12.[H]/N=C/C1=C(N)CN(c2ncc(C(=O)CC(CCCC)Cc3c[nH]c4ccccc34)s2)C1.
What is the InChIKey of 1-[2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4,6,7,7a-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazol-5-yl]heptan-1-one?
The InChIKey is GICVERPLMZVKDB-SSHYDULVSA-N. The full InChI is InChI=1S/C26H31N5OS.2C25H29N5OS.2C24H28N6OS.C24H29N5OS/c1-3-4-7-19(13-20-15-27-23-9-6-5-8-22(20)23)14-24(32)25-16-28-26(33-25)30-10-11-31-21(17-30)12-18(2)29-31;1-3-4-7-17(10-18-12-26-21-9-6-5-8-20(18)21)11-23(31)24-14-27-25(32-24)30-15-19-13-28-29(2)22(19)16-30;1-2-3-6-17(11-18-13-26-22-8-5-4-7-20(18)22)12-23(31)24-15-27-25(32-24)30-10-9-21-19(16-30)14-28-29-21;1-2-3-6-17(11-18-13-25-21-8-5-4-7-20(18)21)12-22(31)23-15-26-24(32-23)29-9-10-30-19(16-29)14-27-28-30;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)29-9-10-30-16-27-28-23(30)15-29;1-2-3-6-16(9-17-12-27-21-8-5-4-7-19(17)21)10-22(30)23-13-28-24(31-23)29-14-18(11-25)20(26)15-29/h5-6,8-9,12,15-16,19,27H,3-4,7,10-11,13-14,17H2,1-2H3;5-6,8-9,12-14,17,26H,3-4,7,10-11,15-16H2,1-2H3;4-5,7-8,13-15,17,21,26H,2-3,6,9-12,16H2,1H3;4-5,7-8,13-15,17,25H,2-3,6,9-12,16H2,1H3;4-5,7-8,13-14,16-17,25H,2-3,6,9-12,15H2,1H3;4-5,7-8,11-13,16,25,27H,2-3,6,9-10,14-15,26H2,1H3/b;;;;;25-11+.
What are the key properties of 1-[2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4,6,7,7a-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazol-5-yl]heptan-1-one?
1-[2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4,6,7,7a-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazol-5-yl]heptan-1-one has a molecular weight of 2689.64 g/mol, XLogP of 32.09, 55 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(4,6,7,7a-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazol-5-yl]heptan-1-one is sourced from PubChem (CID 158263171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).