(4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide

C125H141N21O13 — CID 158743877

About (4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide

(4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide (PubChem CID 158743877) has the molecular formula C125H141N21O13 and a molecular weight of 2145.64 g/mol. Its IUPAC name is (4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide.

Molecular Properties

• Compound Name: (4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide
• PubChem CID: 158743877
• Molecular Formula: C125H141N21O13
• Molecular Weight: 2145.64 g/mol
• Exact Mass: 2144.10
• IUPAC Name: (4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide
• SMILES: CC(=O)NC1=NCc2cc(CC(=O)C[C@H](C)c3ccccc3)ncc21.CN1C[C@@H](NC(=O)Cc2cc3c(cn2)C(N2CCOCC2)=NC3)[C@H](c2ccccc2)C1.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(N)=NC2)c1ccccc1.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(N1CCO[C@H](C)C1)=NC2)c1ccccc1.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(NC(C)=O)=NC2)c1ccccc1.C[C@@H](NC(=O)Cc1cc2c(cn1)C(N)=NC2)c1ccccc1
• InChI: InChI=1S/C24H29N5O2.C24H29N3O3.C21H23N3O3.C20H21N3O2.C19H21N3O2.C17H18N4O/c1-28-15-21(17-5-3-2-4-6-17)22(16-28)27-23(30)12-19-11-18-13-26-24(20(18)14-25-19)29-7-9-31-10-8-29;1-17-15-27(8-9-30-17)24-23-14-25-21(10-19(23)13-26-24)12-22(28)11-20(16-29-2)18-6-4-3-5-7-18;1-14(25)24-21-20-12-22-18(8-16(20)11-23-21)10-19(26)9-17(13-27-2)15-6-4-3-5-7-15;1-13(15-6-4-3-5-7-15)8-18(25)10-17-9-16-11-22-20(23-14(2)24)19(16)12-21-17;1-24-12-15(13-5-3-2-4-6-13)8-17(23)9-16-7-14-10-22-19(20)18(14)11-21-16;1-11(12-5-3-2-4-6-12)21-16(22)8-14-7-13-9-20-17(18)15(13)10-19-14/h2-6,11,14,21-22H,7-10,12-13,15-16H2,1H3,(H,27,30);3-7,10,14,17,20H,8-9,11-13,15-16H2,1-2H3;3-8,12,17H,9-11,13H2,1-2H3,(H,23,24,25);3-7,9,12-13H,8,10-11H2,1-2H3,(H,22,23,24);2-7,11,15H,8-10,12H2,1H3,(H2,20,22);2-7,10-11H,8-9H2,1H3,(H2,18,20)(H,21,22)/t21-,22+;17-,20-;17-;13-;15-;11-/m011011/s1
• InChIKey: IMQHMZNPJKSMHM-FBDJBDJNSA-N
• XLogP: 13.57
• TPSA: 444.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2145.64
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide?

The IUPAC name of (4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide (CID 158743877) is (4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide.

What is the SMILES notation for (4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide?

The canonical SMILES for (4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide is CC(=O)NC1=NCc2cc(CC(=O)C[C@H](C)c3ccccc3)ncc21.CN1C[C@@H](NC(=O)Cc2cc3c(cn2)C(N2CCOCC2)=NC3)[C@H](c2ccccc2)C1.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(N)=NC2)c1ccccc1.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(N1CCO[C@H](C)C1)=NC2)c1ccccc1.COC[C@@H](CC(=O)Cc1cc2c(cn1)C(NC(C)=O)=NC2)c1ccccc1.C[C@@H](NC(=O)Cc1cc2c(cn1)C(N)=NC2)c1ccccc1.

What is the InChIKey of (4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide?

The InChIKey is IMQHMZNPJKSMHM-FBDJBDJNSA-N. The full InChI is InChI=1S/C24H29N5O2.C24H29N3O3.C21H23N3O3.C20H21N3O2.C19H21N3O2.C17H18N4O/c1-28-15-21(17-5-3-2-4-6-17)22(16-28)27-23(30)12-19-11-18-13-26-24(20(18)14-25-19)29-7-9-31-10-8-29;1-17-15-27(8-9-30-17)24-23-14-25-21(10-19(23)13-26-24)12-22(28)11-20(16-29-2)18-6-4-3-5-7-18;1-14(25)24-21-20-12-22-18(8-16(20)11-23-21)10-19(26)9-17(13-27-2)15-6-4-3-5-7-15;1-13(15-6-4-3-5-7-15)8-18(25)10-17-9-16-11-22-20(23-14(2)24)19(16)12-21-17;1-24-12-15(13-5-3-2-4-6-13)8-17(23)9-16-7-14-10-22-19(20)18(14)11-21-16;1-11(12-5-3-2-4-6-12)21-16(22)8-14-7-13-9-20-17(18)15(13)10-19-14/h2-6,11,14,21-22H,7-10,12-13,15-16H2,1H3,(H,27,30);3-7,10,14,17,20H,8-9,11-13,15-16H2,1-2H3;3-8,12,17H,9-11,13H2,1-2H3,(H,23,24,25);3-7,9,12-13H,8,10-11H2,1-2H3,(H,22,23,24);2-7,11,15H,8-10,12H2,1H3,(H2,20,22);2-7,10-11H,8-9H2,1H3,(H2,18,20)(H,21,22)/t21-,22+;17-,20-;17-;13-;15-;11-/m011011/s1.

What are the key properties of (4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide?

(4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide has a molecular weight of 2145.64 g/mol, XLogP of 13.57, 34 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-1-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-methoxy-4-phenylpentan-2-one;2-(3-amino-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1R)-1-phenylethyl]acetamide;(4S)-5-methoxy-1-[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one;N-[6-[(4S)-5-methoxy-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide;N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 158743877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).