1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone

C138H140N42O18S3 — CID 160966846

IUPAC1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone
SMILESCS(=O)(=O)CC1CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)C1.NS(=O)(=O)CC1CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)C1.Nc1nc2c(s1)CCN(C(=O)Cc1nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o1)C2.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCC2=C(CN=C2)C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCCc2[nH]ncc21.O=C(O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1
InChIInChI=1S/C24H23N7O2.C23H22N8O2S.C23H22N8O2.C23H26N6O4S.C23H22N6O4.C22H25N7O4S/c32-22(31-6-5-17-10-25-11-19(17)14-31)9-21-29-30-23(33-21)18-12-26-24(27-13-18)28-20-7-15-3-1-2-4-16(15)8-20;24-22-28-17-12-31(6-5-18(17)34-22)20(32)9-19-29-30-21(33-19)15-10-25-23(26-11-15)27-16-7-13-3-1-2-4-14(13)8-16;32-21(31-7-3-6-18-19(31)13-26-28-18)10-20-29-30-22(33-20)16-11-24-23(25-12-16)27-17-8-14-4-1-2-5-15(14)9-17;1-34(31,32)14-15-6-7-29(13-15)21(30)10-20-27-28-22(33-20)18-11-24-23(25-12-18)26-19-8-16-4-2-3-5-17(16)9-19;30-20(29-7-5-14(6-8-29)22(31)32)11-19-27-28-21(33-19)17-12-24-23(25-13-17)26-18-9-15-3-1-2-4-16(15)10-18;23-34(31,32)13-14-5-6-29(12-14)20(30)9-19-27-28-21(33-19)17-10-24-22(25-11-17)26-18-7-15-3-1-2-4-16(15)8-18/h1-4,10,12-13,20H,5-9,11,14H2,(H,26,27,28);1-4,10-11,16H,5-9,12H2,(H2,24,28)(H,25,26,27);1-2,4-5,11-13,17H,3,6-10H2,(H,26,28)(H,24,25,27);2-5,11-12,15,19H,6-10,13-14H2,1H3,(H,24,25,26);1-5,12-13,18H,6-11H2,(H,31,32)(H,24,25,26);1-4,10-11,14,18H,5-9,12-13H2,(H2,23,31,32)(H,24,25,26)
InChIKeySXSSGEKUFQAUNX-UHFFFAOYSA-N
MW2771.11 g/mol
LogP11.10
Rot. Bonds35

About 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone

1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone (PubChem CID 160966846) has the molecular formula C138H140N42O18S3 and a molecular weight of 2771.11 g/mol. Its IUPAC name is 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone
PubChem CID160966846
Molecular FormulaC138H140N42O18S3
Molecular Weight2771.11 g/mol
Exact Mass2769.05
IUPAC Name1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone
SMILESCS(=O)(=O)CC1CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)C1.NS(=O)(=O)CC1CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)C1.Nc1nc2c(s1)CCN(C(=O)Cc1nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o1)C2.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCC2=C(CN=C2)C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCCc2[nH]ncc21.O=C(O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1
InChIInChI=1S/C24H23N7O2.C23H22N8O2S.C23H22N8O2.C23H26N6O4S.C23H22N6O4.C22H25N7O4S/c32-22(31-6-5-17-10-25-11-19(17)14-31)9-21-29-30-23(33-21)18-12-26-24(27-13-18)28-20-7-15-3-1-2-4-16(15)8-20;24-22-28-17-12-31(6-5-18(17)34-22)20(32)9-19-29-30-21(33-19)15-10-25-23(26-11-15)27-16-7-13-3-1-2-4-14(13)8-16;32-21(31-7-3-6-18-19(31)13-26-28-18)10-20-29-30-22(33-20)16-11-24-23(25-12-16)27-17-8-14-4-1-2-5-15(14)9-17;1-34(31,32)14-15-6-7-29(13-15)21(30)10-20-27-28-22(33-20)18-11-24-23(25-12-18)26-19-8-16-4-2-3-5-17(16)9-19;30-20(29-7-5-14(6-8-29)22(31)32)11-19-27-28-21(33-19)17-12-24-23(25-13-17)26-18-9-15-3-1-2-4-16(15)10-18;23-34(31,32)13-14-5-6-29(12-14)20(30)9-19-27-28-21(33-19)17-10-24-22(25-11-17)26-18-7-15-3-1-2-4-16(15)8-18/h1-4,10,12-13,20H,5-9,11,14H2,(H,26,27,28);1-4,10-11,16H,5-9,12H2,(H2,24,28)(H,25,26,27);1-2,4-5,11-13,17H,3,6-10H2,(H,26,28)(H,24,25,27);2-5,11-12,15,19H,6-10,13-14H2,1H3,(H,24,25,26);1-5,12-13,18H,6-11H2,(H,31,32)(H,24,25,26);1-4,10-11,14,18H,5-9,12-13H2,(H2,23,31,32)(H,24,25,26)
InChIKeySXSSGEKUFQAUNX-UHFFFAOYSA-N
XLogP11.10
TPSA793.79 Ų
H-Bond Donors10
H-Bond Acceptors52
Rotatable Bonds35
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002771.11
LogP ≤ 511.10
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1052

Analyze 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone?
The IUPAC name of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone (CID 160966846) is 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone is CS(=O)(=O)CC1CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)C1.NS(=O)(=O)CC1CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)C1.Nc1nc2c(s1)CCN(C(=O)Cc1nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o1)C2.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCC2=C(CN=C2)C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCCc2[nH]ncc21.O=C(O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.
What is the InChIKey of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone?
The InChIKey is SXSSGEKUFQAUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2.C23H22N8O2S.C23H22N8O2.C23H26N6O4S.C23H22N6O4.C22H25N7O4S/c32-22(31-6-5-17-10-25-11-19(17)14-31)9-21-29-30-23(33-21)18-12-26-24(27-13-18)28-20-7-15-3-1-2-4-16(15)8-20;24-22-28-17-12-31(6-5-18(17)34-22)20(32)9-19-29-30-21(33-19)15-10-25-23(26-11-15)27-16-7-13-3-1-2-4-14(13)8-16;32-21(31-7-3-6-18-19(31)13-26-28-18)10-20-29-30-22(33-20)16-11-24-23(25-12-16)27-17-8-14-4-1-2-5-15(14)9-17;1-34(31,32)14-15-6-7-29(13-15)21(30)10-20-27-28-22(33-20)18-11-24-23(25-12-18)26-19-8-16-4-2-3-5-17(16)9-19;30-20(29-7-5-14(6-8-29)22(31)32)11-19-27-28-21(33-19)17-12-24-23(25-13-17)26-18-9-15-3-1-2-4-16(15)10-18;23-34(31,32)13-14-5-6-29(12-14)20(30)9-19-27-28-21(33-19)17-10-24-22(25-11-17)26-18-7-15-3-1-2-4-16(15)8-18/h1-4,10,12-13,20H,5-9,11,14H2,(H,26,27,28);1-4,10-11,16H,5-9,12H2,(H2,24,28)(H,25,26,27);1-2,4-5,11-13,17H,3,6-10H2,(H,26,28)(H,24,25,27);2-5,11-12,15,19H,6-10,13-14H2,1H3,(H,24,25,26);1-5,12-13,18H,6-11H2,(H,31,32)(H,24,25,26);1-4,10-11,14,18H,5-9,12-13H2,(H2,23,31,32)(H,24,25,26).
What are the key properties of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone?
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone has a molecular weight of 2771.11 g/mol, XLogP of 11.10, 35 rotatable bonds, 10 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;[1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]pyrrolidin-3-yl]methanesulfonamide;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 160966846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).