2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide

C112H133N21O13S8 — CID 164967385

About 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide

2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide (PubChem CID 164967385) has the molecular formula C112H133N21O13S8 and a molecular weight of 2237.97 g/mol. Its IUPAC name is 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide.

Molecular Properties

• Compound Name: 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide
• PubChem CID: 164967385
• Molecular Formula: C112H133N21O13S8
• Molecular Weight: 2237.97 g/mol
• Exact Mass: 2235.82
• IUPAC Name: 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide
• SMILES: CC(=O)Nc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.COc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(C)c(-c2cc3c(c(C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(NS(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1
• InChI: InChI=1S/C21H26N4O2S.C19H22N4O2S.C18H22N4O3S2.C18H21N3O3S2.C18H21N3O2S.C18H21N3OS/c1-12-19(28-14(3)22-12)17-10-16-11-25(13(2)15-4-5-15)21(26)18(16)20(23-17)24-6-8-27-9-7-24;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;1-9-16(26-11(3)19-9)14-7-13-8-22(10(2)12-5-6-12)18(23)15(13)17(20-14)21-27(4,24)25;1-9-16(25-11(3)19-9)14-7-13-8-21(10(2)12-5-6-12)18(22)15(13)17(20-14)26(4,23)24;1-9-16(24-11(3)19-9)14-7-13-8-21(10(2)12-5-6-12)18(22)15(13)17(20-14)23-4;1-9-16-14(8-21(18(16)22)11(3)13-5-6-13)7-15(20-9)17-10(2)19-12(4)23-17/h10,13,15H,4-9,11H2,1-3H3;7,10,13H,5-6,8H2,1-4H3,(H,21,22,24);7,10,12H,5-6,8H2,1-4H3,(H,20,21);7,10,12H,5-6,8H2,1-4H3;7,10,12H,5-6,8H2,1-4H3;7,11,13H,5-6,8H2,1-4H3/t13-;4*10-;11-/m000000/s1
• InChIKey: CQUHIBPQSXPZDF-JDUFOZSHSA-N
• XLogP: 20.34
• TPSA: 407.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2237.97
LogP ≤ 5	20.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide?

The IUPAC name of 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide (CID 164967385) is 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide.

What is the SMILES notation for 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide?

The canonical SMILES for 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide is CC(=O)Nc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.COc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(C)c(-c2cc3c(c(C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(NS(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.

What is the InChIKey of 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide?

The InChIKey is CQUHIBPQSXPZDF-JDUFOZSHSA-N. The full InChI is InChI=1S/C21H26N4O2S.C19H22N4O2S.C18H22N4O3S2.C18H21N3O3S2.C18H21N3O2S.C18H21N3OS/c1-12-19(28-14(3)22-12)17-10-16-11-25(13(2)15-4-5-15)21(26)18(16)20(23-17)24-6-8-27-9-7-24;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;1-9-16(26-11(3)19-9)14-7-13-8-22(10(2)12-5-6-12)18(23)15(13)17(20-14)21-27(4,24)25;1-9-16(25-11(3)19-9)14-7-13-8-21(10(2)12-5-6-12)18(22)15(13)17(20-14)26(4,23)24;1-9-16(24-11(3)19-9)14-7-13-8-21(10(2)12-5-6-12)18(22)15(13)17(20-14)23-4;1-9-16-14(8-21(18(16)22)11(3)13-5-6-13)7-15(20-9)17-10(2)19-12(4)23-17/h10,13,15H,4-9,11H2,1-3H3;7,10,13H,5-6,8H2,1-4H3,(H,21,22,24);7,10,12H,5-6,8H2,1-4H3,(H,20,21);7,10,12H,5-6,8H2,1-4H3;7,10,12H,5-6,8H2,1-4H3;7,11,13H,5-6,8H2,1-4H3/t13-;4*10-;11-/m000000/s1.

What are the key properties of 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide?

2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide has a molecular weight of 2237.97 g/mol, XLogP of 20.34, 24 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylsulfonyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-morpholin-4-yl-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;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]methanesulfonamide is sourced from PubChem (CID 164967385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).