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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one

C106H132N18O13S5 — CID 165069956

About 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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 165069956) has the molecular formula C106H132N18O13S5 and a molecular weight of 2026.67 g/mol. Its IUPAC name is 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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

• Compound Name: 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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one
• PubChem CID: 165069956
• Molecular Formula: C106H132N18O13S5
• Molecular Weight: 2026.67 g/mol
• Exact Mass: 2024.88
• IUPAC Name: 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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one
• SMILES: COCCOc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(C)c(-c2cc3c(c(C(=O)N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(C(C)N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(CN4CCOCC4)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
• InChI: InChI=1S/C23H30N4O2S.C22H26N4O3S.C22H28N4O2S.C20H25N3O3S.C19H23N3O3S/c1-13-22(30-16(4)24-13)19-11-18-12-27(14(2)17-5-6-17)23(28)20(18)21(25-19)15(3)26-7-9-29-10-8-26;1-12-20(30-14(3)23-12)17-10-16-11-26(13(2)15-4-5-15)21(27)18(16)19(24-17)22(28)25-6-8-29-9-7-25;1-13-21(29-15(3)23-13)18-10-17-11-26(14(2)16-4-5-16)22(27)20(17)19(24-18)12-25-6-8-28-9-7-25;1-11-18(27-13(3)21-11)16-9-15-10-23(12(2)14-5-6-14)20(24)17(15)19(22-16)26-8-7-25-4;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/h11,14-15,17H,5-10,12H2,1-4H3;10,13,15H,4-9,11H2,1-3H3;10,14,16H,4-9,11-12H2,1-3H3;9,12,14H,5-8,10H2,1-4H3;8,11,13,23H,4-7,9H2,1-3H3/t14-,15?;13-;14-;12-;11-/m00000/s1
• InChIKey: SPAOUOUHYAVCMV-YPVZJUFSSA-N
• XLogP: 16.98
• TPSA: 332.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2026.67
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one?

The IUPAC name of 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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one (CID 165069956) is 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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one.

What is the SMILES notation for 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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one?

The canonical SMILES for 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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one is COCCOc1nc(-c2sc(C)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(C)c(-c2cc3c(c(C(=O)N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(C(C)N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(CN4CCOCC4)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-[(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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one?

The InChIKey is SPAOUOUHYAVCMV-YPVZJUFSSA-N. The full InChI is InChI=1S/C23H30N4O2S.C22H26N4O3S.C22H28N4O2S.C20H25N3O3S.C19H23N3O3S/c1-13-22(30-16(4)24-13)19-11-18-12-27(14(2)17-5-6-17)23(28)20(18)21(25-19)15(3)26-7-9-29-10-8-26;1-12-20(30-14(3)23-12)17-10-16-11-26(13(2)15-4-5-15)21(27)18(16)19(24-17)22(28)25-6-8-29-9-7-25;1-13-21(29-15(3)23-13)18-10-17-11-26(14(2)16-4-5-16)22(27)20(17)19(24-18)12-25-6-8-28-9-7-25;1-11-18(27-13(3)21-11)16-9-15-10-23(12(2)14-5-6-14)20(24)17(15)19(22-16)26-8-7-25-4;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/h11,14-15,17H,5-10,12H2,1-4H3;10,13,15H,4-9,11H2,1-3H3;10,14,16H,4-9,11-12H2,1-3H3;9,12,14H,5-8,10H2,1-4H3;8,11,13,23H,4-7,9H2,1-3H3/t14-,15?;13-;14-;12-;11-/m00000/s1.

What are the key properties of 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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-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-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 2026.67 g/mol, XLogP of 16.98, 27 rotatable bonds, 1 hydrogen bond donors, and 30 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-(2-hydroxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholine-4-carbonyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(1-morpholin-4-ylethyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(morpholin-4-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 165069956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).