6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one

C107H132ClN19O11S5 — CID 165007583

About 6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one

6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 165007583) has the molecular formula C107H132ClN19O11S5 and a molecular weight of 2056.14 g/mol. Its IUPAC name is 6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

• Compound Name: 6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one
• PubChem CID: 165007583
• Molecular Formula: C107H132ClN19O11S5
• Molecular Weight: 2056.14 g/mol
• Exact Mass: 2053.86
• IUPAC Name: 6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one
• SMILES: 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(N4CCOC[C@H]4C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(OC4COC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(Cl)c(-c2cc3c(c(N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1
• InChI: InChI=1S/C23H30N4O2S.2C22H28N4O2S.C20H23ClN4O2S.C20H23N3O3S/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;1-12-11-28-8-7-25(12)21-19-17(10-26(22(19)27)14(3)16-5-6-16)9-18(24-21)20-13(2)23-15(4)29-20;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(13-3-4-13)25-10-14-9-15(17-18(21)22-12(2)28-17)23-19(16(14)20(25)26)24-5-7-27-8-6-24;1-10-18(27-12(3)21-10)16-6-14-7-23(11(2)13-4-5-13)20(24)17(14)19(22-16)26-15-8-25-9-15/h11,14-15,17H,5-10,12H2,1-4H3;9,12,14,16H,5-8,10-11H2,1-4H3;10,14,16H,4-9,11-12H2,1-3H3;9,11,13H,3-8,10H2,1-2H3;6,11,13,15H,4-5,7-9H2,1-3H3/t14-,15?;12-,14+;14-;2*11-/m01000/s1
• InChIKey: JEXQPTPNMBNWEJ-ZWMRCONISA-N
• XLogP: 18.29
• TPSA: 298.79 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2056.14
LogP ≤ 5	18.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one?

The IUPAC name of 6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one (CID 165007583) is 6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one.

What is the SMILES notation for 6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one?

The canonical SMILES for 6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one is 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(N4CCOC[C@H]4C)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(C)c(-c2cc3c(c(OC4COC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.Cc1nc(Cl)c(-c2cc3c(c(N4CCOCC4)n2)C(=O)N([C@@H](C)C2CC2)C3)s1.

What is the InChIKey of 6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one?

The InChIKey is JEXQPTPNMBNWEJ-ZWMRCONISA-N. The full InChI is InChI=1S/C23H30N4O2S.2C22H28N4O2S.C20H23ClN4O2S.C20H23N3O3S/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;1-12-11-28-8-7-25(12)21-19-17(10-26(22(19)27)14(3)16-5-6-16)9-18(24-21)20-13(2)23-15(4)29-20;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(13-3-4-13)25-10-14-9-15(17-18(21)22-12(2)28-17)23-19(16(14)20(25)26)24-5-7-27-8-6-24;1-10-18(27-12(3)21-10)16-6-14-7-23(11(2)13-4-5-13)20(24)17(14)19(22-16)26-15-8-25-9-15/h11,14-15,17H,5-10,12H2,1-4H3;9,12,14,16H,5-8,10-11H2,1-4H3;10,14,16H,4-9,11-12H2,1-3H3;9,11,13H,3-8,10H2,1-2H3;6,11,13,15H,4-5,7-9H2,1-3H3/t14-,15?;12-,14+;14-;2*11-/m01000/s1.

What are the key properties of 6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one?

6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 2056.14 g/mol, XLogP of 18.29, 23 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chloro-2-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-4-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(1S)-1-cyclopropylethyl]-6-(2,4-dimethyl-1,3-thiazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-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-(oxetan-3-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 165007583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).