3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide

C214H213N51O21S9 — CID 160877255

IUPAC3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide
SMILESCCCC[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)Nc4cccc(C#N)c4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc5c(c4)C=NC5)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(O[C@@H]4CCN(c5ccc(C#N)cc5)C4=O)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5ccncc5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1.C[C@H](Oc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1)C(=O)Nc1ccc(C#N)cc1.Cc1c(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)nnn1-c1nonc1N.Cc1nc(-c2ccncc2)sc1C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1
InChIInChI=1S/C30H29N5O2S.C30H33N5O2S.C29H28N10O3S.C28H28N6O2S2.C25H23N5O3S.C24H26N10O3S.2C24H23N5O3S/c1-34-17-13-25-27(19-34)38-30(32-25)33-28(36)24-5-2-4-23(18-24)26-6-3-16-35(26)29(37)22-9-7-20(8-10-22)21-11-14-31-15-12-21;1-2-3-7-20-13-14-25-27(17-20)38-29(33-25)34-28(36)23-10-5-9-22(18-23)26-12-6-15-35(26)30(37)32-24-11-4-8-21(16-24)19-31;1-37-14-12-20-22(16-37)43-29(31-20)32-27(40)19-10-5-9-18(15-19)21-11-6-13-38(21)28(41)23-24(17-7-3-2-4-8-17)39(36-33-23)26-25(30)34-42-35-26;1-17-24(38-26(30-17)18-8-11-29-12-9-18)27(36)34-13-4-7-22(34)19-5-3-6-20(15-19)25(35)32-28-31-21-10-14-33(2)16-23(21)37-28;1-29-11-9-20-22(15-29)34-25(27-20)28-23(31)17-3-2-4-19(13-17)33-21-10-12-30(24(21)32)18-7-5-16(14-26)6-8-18;1-13-19(28-31-34(13)21-20(25)29-37-30-21)23(36)33-9-4-7-17(33)14-5-3-6-15(11-14)22(35)27-24-26-16-8-10-32(2)12-18(16)38-24;1-29-8-7-20-21(13-29)33-24(27-20)28-23(31)15-3-2-4-19(10-15)32-14-22(30)26-18-6-5-16-11-25-12-17(16)9-18;1-15(22(30)26-18-8-6-16(13-25)7-9-18)32-19-5-3-4-17(12-19)23(31)28-24-27-20-10-11-29(2)14-21(20)33-24/h2,4-5,7-12,14-15,18,26H,3,6,13,16-17,19H2,1H3,(H,32,33,36);4-5,8-11,16,18,20,26H,2-3,6-7,12-15,17H2,1H3,(H,32,37)(H,33,34,36);2-5,7-10,15,21H,6,11-14,16H2,1H3,(H2,30,34)(H,31,32,40);3,5-6,8-9,11-12,15,22H,4,7,10,13-14,16H2,1-2H3,(H,31,32,35);2-8,13,21H,9-12,15H2,1H3,(H,27,28,31);3,5-6,11,17H,4,7-10,12H2,1-2H3,(H2,25,29)(H,26,27,35);2-6,9-10,12H,7-8,11,13-14H2,1H3,(H,26,30)(H,27,28,31);3-9,12,15H,10-11,14H2,1-2H3,(H,26,30)(H,27,28,31)/t26-;20-,26+;21-;22-;21-;17-;;15-/m101111.0/s1
InChIKeySMOGBVOTMNMETJ-HAINVUNDSA-N
MW4124.00 g/mol
LogP33.76
Rot. Bonds45

About 3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide

3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide (PubChem CID 160877255) has the molecular formula C214H213N51O21S9 and a molecular weight of 4124.00 g/mol. Its IUPAC name is 3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide.

Molecular Properties

Compound Name3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide
PubChem CID160877255
Molecular FormulaC214H213N51O21S9
Molecular Weight4124.00 g/mol
Exact Mass4120.47
IUPAC Name3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide
SMILESCCCC[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)Nc4cccc(C#N)c4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc5c(c4)C=NC5)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(O[C@@H]4CCN(c5ccc(C#N)cc5)C4=O)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5ccncc5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1.C[C@H](Oc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1)C(=O)Nc1ccc(C#N)cc1.Cc1c(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)nnn1-c1nonc1N.Cc1nc(-c2ccncc2)sc1C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1
InChIInChI=1S/C30H29N5O2S.C30H33N5O2S.C29H28N10O3S.C28H28N6O2S2.C25H23N5O3S.C24H26N10O3S.2C24H23N5O3S/c1-34-17-13-25-27(19-34)38-30(32-25)33-28(36)24-5-2-4-23(18-24)26-6-3-16-35(26)29(37)22-9-7-20(8-10-22)21-11-14-31-15-12-21;1-2-3-7-20-13-14-25-27(17-20)38-29(33-25)34-28(36)23-10-5-9-22(18-23)26-12-6-15-35(26)30(37)32-24-11-4-8-21(16-24)19-31;1-37-14-12-20-22(16-37)43-29(31-20)32-27(40)19-10-5-9-18(15-19)21-11-6-13-38(21)28(41)23-24(17-7-3-2-4-8-17)39(36-33-23)26-25(30)34-42-35-26;1-17-24(38-26(30-17)18-8-11-29-12-9-18)27(36)34-13-4-7-22(34)19-5-3-6-20(15-19)25(35)32-28-31-21-10-14-33(2)16-23(21)37-28;1-29-11-9-20-22(15-29)34-25(27-20)28-23(31)17-3-2-4-19(13-17)33-21-10-12-30(24(21)32)18-7-5-16(14-26)6-8-18;1-13-19(28-31-34(13)21-20(25)29-37-30-21)23(36)33-9-4-7-17(33)14-5-3-6-15(11-14)22(35)27-24-26-16-8-10-32(2)12-18(16)38-24;1-29-8-7-20-21(13-29)33-24(27-20)28-23(31)15-3-2-4-19(10-15)32-14-22(30)26-18-6-5-16-11-25-12-17(16)9-18;1-15(22(30)26-18-8-6-16(13-25)7-9-18)32-19-5-3-4-17(12-19)23(31)28-24-27-20-10-11-29(2)14-21(20)33-24/h2,4-5,7-12,14-15,18,26H,3,6,13,16-17,19H2,1H3,(H,32,33,36);4-5,8-11,16,18,20,26H,2-3,6-7,12-15,17H2,1H3,(H,32,37)(H,33,34,36);2-5,7-10,15,21H,6,11-14,16H2,1H3,(H2,30,34)(H,31,32,40);3,5-6,8-9,11-12,15,22H,4,7,10,13-14,16H2,1-2H3,(H,31,32,35);2-8,13,21H,9-12,15H2,1H3,(H,27,28,31);3,5-6,11,17H,4,7-10,12H2,1-2H3,(H2,25,29)(H,26,27,35);2-6,9-10,12H,7-8,11,13-14H2,1H3,(H,26,30)(H,27,28,31);3-9,12,15H,10-11,14H2,1-2H3,(H,26,30)(H,27,28,31)/t26-;20-,26+;21-;22-;21-;17-;;15-/m101111.0/s1
InChIKeySMOGBVOTMNMETJ-HAINVUNDSA-N
XLogP33.76
TPSA892.08 Ų
H-Bond Donors13
H-Bond Acceptors64
Rotatable Bonds45
Heavy Atoms295
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004124.00
LogP ≤ 533.76
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1064

Analyze 3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide with MolForge

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What is the IUPAC name of 3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide?
The IUPAC name of 3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide (CID 160877255) is 3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide.
What is the SMILES notation for 3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide?
The canonical SMILES for 3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide is CCCC[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)Nc4cccc(C#N)c4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc5c(c4)C=NC5)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(O[C@@H]4CCN(c5ccc(C#N)cc5)C4=O)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5ccncc5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1.C[C@H](Oc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1)C(=O)Nc1ccc(C#N)cc1.Cc1c(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)nnn1-c1nonc1N.Cc1nc(-c2ccncc2)sc1C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1.
What is the InChIKey of 3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide?
The InChIKey is SMOGBVOTMNMETJ-HAINVUNDSA-N. The full InChI is InChI=1S/C30H29N5O2S.C30H33N5O2S.C29H28N10O3S.C28H28N6O2S2.C25H23N5O3S.C24H26N10O3S.2C24H23N5O3S/c1-34-17-13-25-27(19-34)38-30(32-25)33-28(36)24-5-2-4-23(18-24)26-6-3-16-35(26)29(37)22-9-7-20(8-10-22)21-11-14-31-15-12-21;1-2-3-7-20-13-14-25-27(17-20)38-29(33-25)34-28(36)23-10-5-9-22(18-23)26-12-6-15-35(26)30(37)32-24-11-4-8-21(16-24)19-31;1-37-14-12-20-22(16-37)43-29(31-20)32-27(40)19-10-5-9-18(15-19)21-11-6-13-38(21)28(41)23-24(17-7-3-2-4-8-17)39(36-33-23)26-25(30)34-42-35-26;1-17-24(38-26(30-17)18-8-11-29-12-9-18)27(36)34-13-4-7-22(34)19-5-3-6-20(15-19)25(35)32-28-31-21-10-14-33(2)16-23(21)37-28;1-29-11-9-20-22(15-29)34-25(27-20)28-23(31)17-3-2-4-19(13-17)33-21-10-12-30(24(21)32)18-7-5-16(14-26)6-8-18;1-13-19(28-31-34(13)21-20(25)29-37-30-21)23(36)33-9-4-7-17(33)14-5-3-6-15(11-14)22(35)27-24-26-16-8-10-32(2)12-18(16)38-24;1-29-8-7-20-21(13-29)33-24(27-20)28-23(31)15-3-2-4-19(10-15)32-14-22(30)26-18-6-5-16-11-25-12-17(16)9-18;1-15(22(30)26-18-8-6-16(13-25)7-9-18)32-19-5-3-4-17(12-19)23(31)28-24-27-20-10-11-29(2)14-21(20)33-24/h2,4-5,7-12,14-15,18,26H,3,6,13,16-17,19H2,1H3,(H,32,33,36);4-5,8-11,16,18,20,26H,2-3,6-7,12-15,17H2,1H3,(H,32,37)(H,33,34,36);2-5,7-10,15,21H,6,11-14,16H2,1H3,(H2,30,34)(H,31,32,40);3,5-6,8-9,11-12,15,22H,4,7,10,13-14,16H2,1-2H3,(H,31,32,35);2-8,13,21H,9-12,15H2,1H3,(H,27,28,31);3,5-6,11,17H,4,7-10,12H2,1-2H3,(H2,25,29)(H,26,27,35);2-6,9-10,12H,7-8,11,13-14H2,1H3,(H,26,30)(H,27,28,31);3-9,12,15H,10-11,14H2,1-2H3,(H,26,30)(H,27,28,31)/t26-;20-,26+;21-;22-;21-;17-;;15-/m101111.0/s1.
What are the key properties of 3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide?
3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide has a molecular weight of 4124.00 g/mol, XLogP of 33.76, 45 rotatable bonds, 13 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(2R)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;(2R)-2-[3-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[(3R)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]oxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;3-[2-(1H-isoindol-5-ylamino)-2-oxoethoxy]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-4-ylbenzoyl)pyrrolidin-2-yl]benzamide is sourced from PubChem (CID 160877255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).