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-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea

C100H118N20O10S6 — CID 164969602

About 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-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea

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-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea (PubChem CID 164969602) has the molecular formula C100H118N20O10S6 and a molecular weight of 1952.58 g/mol. Its IUPAC name is 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-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea.

Molecular Properties

• Compound Name: 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-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea
• PubChem CID: 164969602
• Molecular Formula: C100H118N20O10S6
• Molecular Weight: 1952.58 g/mol
• Exact Mass: 1950.77
• IUPAC Name: 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-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea
• SMILES: Cc1nc(C)c(-c2cc3c(c(C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(N4CCCC4=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(NC(=O)C4CC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(NC(=O)N(C)C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(NS(=O)(=O)C4CC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1
• InChI: InChI=1S/2C21H24N4O2S.C20H25N5O2S.C20H24N4O3S2.C18H21N3OS/c1-10-18(28-12(3)22-10)16-8-15-9-25(11(2)13-4-5-13)21(27)17(15)19(23-16)24-20(26)14-6-7-14;1-11-19(28-13(3)22-11)16-9-15-10-25(12(2)14-6-7-14)21(27)18(15)20(23-16)24-8-4-5-17(24)26;1-10-17(28-12(3)21-10)15-8-14-9-25(11(2)13-6-7-13)19(26)16(14)18(22-15)23-20(27)24(4)5;1-10-18(28-12(3)21-10)16-8-14-9-24(11(2)13-4-5-13)20(25)17(14)19(22-16)23-29(26,27)15-6-7-15;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/h8,11,13-14H,4-7,9H2,1-3H3,(H,23,24,26);9,12,14H,4-8,10H2,1-3H3;8,11,13H,6-7,9H2,1-5H3,(H,22,23,27);8,11,13,15H,4-7,9H2,1-3H3,(H,22,23);7,11,13H,5-6,8H2,1-4H3/t11-;12-;3*11-/m00000/s1
• InChIKey: CYCWPOSHKPIPNF-GCNAHWTQSA-N
• XLogP: 18.66
• TPSA: 358.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1952.58
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 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-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea?

The IUPAC name of 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-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea (CID 164969602) is 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-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea.

What is the SMILES notation for 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-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea?

The canonical SMILES for 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-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea is Cc1nc(C)c(-c2cc3c(c(C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(N4CCCC4=O)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(NC(=O)C4CC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(NC(=O)N(C)C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(NS(=O)(=O)C4CC4)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-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea?

The InChIKey is CYCWPOSHKPIPNF-GCNAHWTQSA-N. The full InChI is InChI=1S/2C21H24N4O2S.C20H25N5O2S.C20H24N4O3S2.C18H21N3OS/c1-10-18(28-12(3)22-10)16-8-15-9-25(11(2)13-4-5-13)21(27)17(15)19(23-16)24-20(26)14-6-7-14;1-11-19(28-13(3)22-11)16-9-15-10-25(12(2)14-6-7-14)21(27)18(15)20(23-16)24-8-4-5-17(24)26;1-10-17(28-12(3)21-10)15-8-14-9-25(11(2)13-6-7-13)19(26)16(14)18(22-15)23-20(27)24(4)5;1-10-18(28-12(3)21-10)16-8-14-9-24(11(2)13-4-5-13)20(25)17(14)19(22-16)23-29(26,27)15-6-7-15;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/h8,11,13-14H,4-7,9H2,1-3H3,(H,23,24,26);9,12,14H,4-8,10H2,1-3H3;8,11,13H,6-7,9H2,1-5H3,(H,22,23,27);8,11,13,15H,4-7,9H2,1-3H3,(H,22,23);7,11,13H,5-6,8H2,1-4H3/t11-;12-;3*11-/m00000/s1.

What are the key properties of 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-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea?

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-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea has a molecular weight of 1952.58 g/mol, XLogP of 18.66, 22 rotatable bonds, 3 hydrogen bond donors, and 25 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-methyl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-oxopyrrolidin-1-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]cyclopropanecarboxamide;N-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]cyclopropanesulfonamide;3-[2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-4-yl]-1,1-dimethylurea is sourced from PubChem (CID 164969602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).