6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide

C51H58Cl3N9O7S2 — CID 164970140

About 6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide

6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 164970140) has the molecular formula C51H58Cl3N9O7S2 and a molecular weight of 1085.61 g/mol. Its IUPAC name is 6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 164970140
• Molecular Formula: C51H58Cl3N9O7S2
• Molecular Weight: 1085.61 g/mol
• Exact Mass: 1083.33
• IUPAC Name: 6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide
• SMILES: CC(=O)Nc1nc(C)cs1.C[C@@H](C1CC1)N1Cc2cc(Cl)nc(Cl)c2C1=O.[2H]C([2H])([2H])Oc1nc(-c2sc(CC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.[2H]C([2H])([2H])Oc1nc(Cl)cc2c1C(=O)N([C@@H](C)C1CC1)C2
• InChI: InChI=1S/C20H23N3O3S.C13H15ClN2O2.C12H12Cl2N2O.C6H8N2OS/c1-10(24)7-16-21-11(2)18(27-16)15-8-14-9-23(12(3)13-5-6-13)20(25)17(14)19(22-15)26-4;1-7(8-3-4-8)16-6-9-5-10(14)15-12(18-2)11(9)13(16)17;1-6(7-2-3-7)16-5-8-4-9(13)15-11(14)10(8)12(16)17;1-4-3-10-6(7-4)8-5(2)9/h8,12-13H,5-7,9H2,1-4H3;5,7-8H,3-4,6H2,1-2H3;4,6-7H,2-3,5H2,1H3;3H,1-2H3,(H,7,8,9)/t12-;7-;6-;/m000./s1/i4D3;2D3
• InChIKey: CZWLZSCGLHKHGU-GNMOROIKSA-N
• XLogP: 10.46
• TPSA: 190.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1085.61
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 164970140) is 6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1nc(C)cs1.C[C@@H](C1CC1)N1Cc2cc(Cl)nc(Cl)c2C1=O.[2H]C([2H])([2H])Oc1nc(-c2sc(CC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.[2H]C([2H])([2H])Oc1nc(Cl)cc2c1C(=O)N([C@@H](C)C1CC1)C2.

What is the InChIKey of 6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is CZWLZSCGLHKHGU-GNMOROIKSA-N. The full InChI is InChI=1S/C20H23N3O3S.C13H15ClN2O2.C12H12Cl2N2O.C6H8N2OS/c1-10(24)7-16-21-11(2)18(27-16)15-8-14-9-23(12(3)13-5-6-13)20(25)17(14)19(22-15)26-4;1-7(8-3-4-8)16-6-9-5-10(14)15-12(18-2)11(9)13(16)17;1-6(7-2-3-7)16-5-8-4-9(13)15-11(14)10(8)12(16)17;1-4-3-10-6(7-4)8-5(2)9/h8,12-13H,5-7,9H2,1-4H3;5,7-8H,3-4,6H2,1-2H3;4,6-7H,2-3,5H2,1H3;3H,1-2H3,(H,7,8,9)/t12-;7-;6-;/m000./s1/i4D3;2D3;;.

What are the key properties of 6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide?

6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 1085.61 g/mol, XLogP of 10.46, 14 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-[(1S)-1-cyclopropylethyl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-[4-methyl-2-(2-oxopropyl)-1,3-thiazol-5-yl]-4-(trideuteriomethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one;4,6-dichloro-2-[(1S)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one;N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 164970140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).