2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide

C165H197N31O19S9 — CID 165038728

IUPAC2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide
SMILESCC(=O)Nc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(C)c(-c2cc3c(c(N4CC(O)C4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(N4CC(S(C)(=O)=O)C4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(N4CCC(O)C4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(N4CCC(O)CC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(NC(=O)C4CC4C#N)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(OC4CCOC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(OCCO)n2)C(=O)N([C@@H](C)C2CC2)C3)s1
InChIInChI=1S/C22H23N5O2S.C22H28N4O2S.C21H26N4O3S2.C21H26N4O2S.C21H25N3O3S.C20H24N4O2S.C19H22N4O2S.C19H23N3O3S/c1-10-19(30-12(3)24-10)17-7-15-9-27(11(2)13-4-5-13)22(29)18(15)20(25-17)26-21(28)16-6-14(16)8-23;1-12-20(29-14(3)23-12)18-10-16-11-26(13(2)15-4-5-15)22(28)19(16)21(24-18)25-8-6-17(27)7-9-25;1-11-19(29-13(3)22-11)17-7-15-8-25(12(2)14-5-6-14)21(26)18(15)20(23-17)24-9-16(10-24)30(4,27)28;1-11-19(28-13(3)22-11)17-8-15-9-25(12(2)14-4-5-14)21(27)18(15)20(23-17)24-7-6-16(26)10-24;1-11-19(28-13(3)22-11)17-8-15-9-24(12(2)14-4-5-14)21(25)18(15)20(23-17)27-16-6-7-26-10-16;1-10-18(27-12(3)21-10)16-6-14-7-24(11(2)13-4-5-13)20(26)17(14)19(22-16)23-8-15(25)9-23;1-9-17(26-12(4)20-9)15-7-14-8-23(10(2)13-5-6-13)19(25)16(14)18(22-15)21-11(3)24;1-10-17(26-12(3)20-10)15-8-14-9-22(11(2)13-4-5-13)19(24)16(14)18(21-15)25-7-6-23/h7,11,13-14,16H,4-6,9H2,1-3H3,(H,25,26,28);10,13,15,17,27H,4-9,11H2,1-3H3;7,12,14,16H,5-6,8-10H2,1-4H3;8,12,14,16,26H,4-7,9-10H2,1-3H3;8,12,14,16H,4-7,9-10H2,1-3H3;6,11,13,15,25H,4-5,7-9H2,1-3H3;7,10,13H,5-6,8H2,1-4H3,(H,21,22,24);8,11,13,23H,4-7,9H2,1-3H3/t11-,14?,16?;13-;12-;2*12-,16?;11-;10-;11-/m00000000/s1
InChIKeyNUFIKKFDYPPVRR-GLYKSMFKSA-N
MW3207.19 g/mol
LogP26.15
Rot. Bonds37

About 2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide

2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide (PubChem CID 165038728) has the molecular formula C165H197N31O19S9 and a molecular weight of 3207.19 g/mol. Its IUPAC name is 2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide
PubChem CID165038728
Molecular FormulaC165H197N31O19S9
Molecular Weight3207.19 g/mol
Exact Mass3204.29
IUPAC Name2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide
SMILESCC(=O)Nc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(C)c(-c2cc3c(c(N4CC(O)C4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(N4CC(S(C)(=O)=O)C4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(N4CCC(O)C4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(N4CCC(O)CC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(NC(=O)C4CC4C#N)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(OC4CCOC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(OCCO)n2)C(=O)N([C@@H](C)C2CC2)C3)s1
InChIInChI=1S/C22H23N5O2S.C22H28N4O2S.C21H26N4O3S2.C21H26N4O2S.C21H25N3O3S.C20H24N4O2S.C19H22N4O2S.C19H23N3O3S/c1-10-19(30-12(3)24-10)17-7-15-9-27(11(2)13-4-5-13)22(29)18(15)20(25-17)26-21(28)16-6-14(16)8-23;1-12-20(29-14(3)23-12)18-10-16-11-26(13(2)15-4-5-15)22(28)19(16)21(24-18)25-8-6-17(27)7-9-25;1-11-19(29-13(3)22-11)17-7-15-8-25(12(2)14-5-6-14)21(26)18(15)20(23-17)24-9-16(10-24)30(4,27)28;1-11-19(28-13(3)22-11)17-8-15-9-25(12(2)14-4-5-14)21(27)18(15)20(23-17)24-7-6-16(26)10-24;1-11-19(28-13(3)22-11)17-8-15-9-24(12(2)14-4-5-14)21(25)18(15)20(23-17)27-16-6-7-26-10-16;1-10-18(27-12(3)21-10)16-6-14-7-24(11(2)13-4-5-13)20(26)17(14)19(22-16)23-8-15(25)9-23;1-9-17(26-12(4)20-9)15-7-14-8-23(10(2)13-5-6-13)19(25)16(14)18(22-15)21-11(3)24;1-10-17(26-12(3)20-10)15-8-14-9-22(11(2)13-4-5-13)19(24)16(14)18(21-15)25-7-6-23/h7,11,13-14,16H,4-6,9H2,1-3H3,(H,25,26,28);10,13,15,17,27H,4-9,11H2,1-3H3;7,12,14,16H,5-6,8-10H2,1-4H3;8,12,14,16,26H,4-7,9-10H2,1-3H3;8,12,14,16H,4-7,9-10H2,1-3H3;6,11,13,15,25H,4-5,7-9H2,1-3H3;7,10,13H,5-6,8H2,1-4H3,(H,21,22,24);8,11,13,23H,4-7,9H2,1-3H3/t11-,14?,16?;13-;12-;2*12-,16?;11-;10-;11-/m00000000/s1
InChIKeyNUFIKKFDYPPVRR-GLYKSMFKSA-N
XLogP26.15
TPSA606.42 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds37
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003207.19
LogP ≤ 526.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

Analyze 2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide?
The IUPAC name of 2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide (CID 165038728) is 2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide is CC(=O)Nc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(C)c(-c2cc3c(c(N4CC(O)C4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(N4CC(S(C)(=O)=O)C4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(N4CCC(O)C4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(N4CCC(O)CC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(NC(=O)C4CC4C#N)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(OC4CCOC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(OCCO)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.
What is the InChIKey of 2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide?
The InChIKey is NUFIKKFDYPPVRR-GLYKSMFKSA-N. The full InChI is InChI=1S/C22H23N5O2S.C22H28N4O2S.C21H26N4O3S2.C21H26N4O2S.C21H25N3O3S.C20H24N4O2S.C19H22N4O2S.C19H23N3O3S/c1-10-19(30-12(3)24-10)17-7-15-9-27(11(2)13-4-5-13)22(29)18(15)20(25-17)26-21(28)16-6-14(16)8-23;1-12-20(29-14(3)23-12)18-10-16-11-26(13(2)15-4-5-15)22(28)19(16)21(24-18)25-8-6-17(27)7-9-25;1-11-19(29-13(3)22-11)17-7-15-8-25(12(2)14-5-6-14)21(26)18(15)20(23-17)24-9-16(10-24)30(4,27)28;1-11-19(28-13(3)22-11)17-8-15-9-25(12(2)14-4-5-14)21(27)18(15)20(23-17)24-7-6-16(26)10-24;1-11-19(28-13(3)22-11)17-8-15-9-24(12(2)14-4-5-14)21(25)18(15)20(23-17)27-16-6-7-26-10-16;1-10-18(27-12(3)21-10)16-6-14-7-24(11(2)13-4-5-13)20(26)17(14)19(22-16)23-8-15(25)9-23;1-9-17(26-12(4)20-9)15-7-14-8-23(10(2)13-5-6-13)19(25)16(14)18(22-15)21-11(3)24;1-10-17(26-12(3)20-10)15-8-14-9-22(11(2)13-4-5-13)19(24)16(14)18(21-15)25-7-6-23/h7,11,13-14,16H,4-6,9H2,1-3H3,(H,25,26,28);10,13,15,17,27H,4-9,11H2,1-3H3;7,12,14,16H,5-6,8-10H2,1-4H3;8,12,14,16,26H,4-7,9-10H2,1-3H3;8,12,14,16H,4-7,9-10H2,1-3H3;6,11,13,15,25H,4-5,7-9H2,1-3H3;7,10,13H,5-6,8H2,1-4H3,(H,21,22,24);8,11,13,23H,4-7,9H2,1-3H3/t11-,14?,16?;13-;12-;2*12-,16?;11-;10-;11-/m00000000/s1.
What are the key properties of 2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide?
2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide has a molecular weight of 3207.19 g/mol, XLogP of 26.15, 37 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropane-1-carboxamide;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxyazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(4-hydroxypiperidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(3-methylsulfonylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(oxolan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]acetamide is sourced from PubChem (CID 165038728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).