N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate

C109H118N20O17 — CID 157315800

About N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate

N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate (PubChem CID 157315800) has the molecular formula C109H118N20O17 and a molecular weight of 1980.27 g/mol. Its IUPAC name is N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate.

Molecular Properties

• Compound Name: N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate
• PubChem CID: 157315800
• Molecular Formula: C109H118N20O17
• Molecular Weight: 1980.27 g/mol
• Exact Mass: 1978.90
• IUPAC Name: N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate
• SMILES: COC(=O)NC1=NCc2cc(CC(=O)N[C@H](C)c3ccccc3)ncc21.COCCOC(=O)NC1=NCc2cc(CC(=O)N[C@H](C)c3ccccc3)ncc21.COC[C@@H](NC(=O)Cc1cc2c(cn1)C(NC(=O)OC)=NC2)c1ccccc1.C[C@@H](NC(=O)Cc1cc2c(cn1)C(NC(=O)Oc1ccccc1)=NC2)c1ccccc1.Cc1ccc([C@H](CC(=O)Cc2cc3c(cn2)C(NC(=O)N2CCC2)=NC3)C(C)(C)O)cc1
• InChI: InChI=1S/C25H30N4O3.C24H22N4O3.C21H24N4O4.C20H22N4O4.C19H20N4O3/c1-16-5-7-17(8-6-16)22(25(2,3)32)13-20(30)12-19-11-18-14-27-23(21(18)15-26-19)28-24(31)29-9-4-10-29;1-16(17-8-4-2-5-9-17)27-22(29)13-19-12-18-14-26-23(21(18)15-25-19)28-24(30)31-20-10-6-3-7-11-20;1-14(15-6-4-3-5-7-15)24-19(26)11-17-10-16-12-23-20(18(16)13-22-17)25-21(27)29-9-8-28-2;1-27-12-17(13-6-4-3-5-7-13)23-18(25)9-15-8-14-10-22-19(16(14)11-21-15)24-20(26)28-2;1-12(13-6-4-3-5-7-13)22-17(24)9-15-8-14-10-21-18(16(14)11-20-15)23-19(25)26-2/h5-8,11,15,22,32H,4,9-10,12-14H2,1-3H3,(H,27,28,31);2-12,15-16H,13-14H2,1H3,(H,27,29)(H,26,28,30);3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,24,26)(H,23,25,27);3-8,11,17H,9-10,12H2,1-2H3,(H,23,25)(H,22,24,26);3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,21,23,25)/t22-;16-;14-;17-;12-/m01111/s1
• InChIKey: BDOPJRBCLTXMBS-NYSHVTKISA-N
• XLogP: 12.67
• TPSA: 484.07 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1980.27
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate?

The IUPAC name of N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate (CID 157315800) is N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate.

What is the SMILES notation for N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate?

The canonical SMILES for N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate is COC(=O)NC1=NCc2cc(CC(=O)N[C@H](C)c3ccccc3)ncc21.COCCOC(=O)NC1=NCc2cc(CC(=O)N[C@H](C)c3ccccc3)ncc21.COC[C@@H](NC(=O)Cc1cc2c(cn1)C(NC(=O)OC)=NC2)c1ccccc1.C[C@@H](NC(=O)Cc1cc2c(cn1)C(NC(=O)Oc1ccccc1)=NC2)c1ccccc1.Cc1ccc([C@H](CC(=O)Cc2cc3c(cn2)C(NC(=O)N2CCC2)=NC3)C(C)(C)O)cc1.

What is the InChIKey of N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate?

The InChIKey is BDOPJRBCLTXMBS-NYSHVTKISA-N. The full InChI is InChI=1S/C25H30N4O3.C24H22N4O3.C21H24N4O4.C20H22N4O4.C19H20N4O3/c1-16-5-7-17(8-6-16)22(25(2,3)32)13-20(30)12-19-11-18-14-27-23(21(18)15-26-19)28-24(31)29-9-4-10-29;1-16(17-8-4-2-5-9-17)27-22(29)13-19-12-18-14-26-23(21(18)15-25-19)28-24(30)31-20-10-6-3-7-11-20;1-14(15-6-4-3-5-7-15)24-19(26)11-17-10-16-12-23-20(18(16)13-22-17)25-21(27)29-9-8-28-2;1-27-12-17(13-6-4-3-5-7-13)23-18(25)9-15-8-14-10-22-19(16(14)11-21-15)24-20(26)28-2;1-12(13-6-4-3-5-7-13)22-17(24)9-15-8-14-10-21-18(16(14)11-20-15)23-19(25)26-2/h5-8,11,15,22,32H,4,9-10,12-14H2,1-3H3,(H,27,28,31);2-12,15-16H,13-14H2,1H3,(H,27,29)(H,26,28,30);3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,24,26)(H,23,25,27);3-8,11,17H,9-10,12H2,1-2H3,(H,23,25)(H,22,24,26);3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,21,23,25)/t22-;16-;14-;17-;12-/m01111/s1.

What are the key properties of N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate?

N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate has a molecular weight of 1980.27 g/mol, XLogP of 12.67, 28 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(4S)-5-hydroxy-5-methyl-4-(4-methylphenyl)-2-oxohexyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]azetidine-1-carboxamide;2-methoxyethyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-[[(1S)-2-methoxy-1-phenylethyl]amino]-2-oxoethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;methyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate;phenyl N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]carbamate is sourced from PubChem (CID 157315800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).