(4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide

C107H117N21O8S2 — CID 160774526

IUPAC(4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide
SMILESCC(C)(O)[C@@H](CC(=O)Cc1cc2c(cn1)C(N1CCc3ncsc3C1)=NC2)c1ccccc1.C[C@@H](NC(=O)Cc1cc2c(cn1)C(N1CCc3ncsc3C1)=NC2)c1ccccc1.[2H]C([2H])([2H])C(=O)NC1=NCc2cc(CC(=O)N[C@H](C)c3ccccc3)ncc21.[2H]C([2H])([2H])C([2H])([2H])/N=C1\NCc2cc(CC(=O)N[C@H](C)c3ccccc3)ncc21.[2H]C([2H])([2H])C([2H])([2H])/N=C1\NCc2cc(CC(=O)N[C@H](COC)c3ccccc3)ncc21
InChIInChI=1S/C26H28N4O2S.C23H23N5OS.C20H24N4O2.C19H20N4O2.C19H22N4O/c1-26(2,32)22(17-6-4-3-5-7-17)12-20(31)11-19-10-18-13-28-25(21(18)14-27-19)30-9-8-23-24(15-30)33-16-29-23;1-15(16-5-3-2-4-6-16)27-22(29)10-18-9-17-11-25-23(19(17)12-24-18)28-8-7-20-21(13-28)30-14-26-20;1-3-21-20-17-12-22-16(9-15(17)11-23-20)10-19(25)24-18(13-26-2)14-7-5-4-6-8-14;1-12(14-6-4-3-5-7-14)22-18(25)9-16-8-15-10-21-19(23-13(2)24)17(15)11-20-16;1-3-20-19-17-12-21-16(9-15(17)11-22-19)10-18(24)23-13(2)14-7-5-4-6-8-14/h3-7,10,14,16,22,32H,8-9,11-13,15H2,1-2H3;2-6,9,12,14-15H,7-8,10-11,13H2,1H3,(H,27,29);4-9,12,18H,3,10-11,13H2,1-2H3,(H,21,23)(H,24,25);3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,21,23,24);4-9,12-13H,3,10-11H2,1-2H3,(H,20,22)(H,23,24)/t22-;15-;18-;12-;13-/m01111/s1/i;;1D3,3D2;2D3;1D3,3D2
InChIKeyRZTNTEWZNQZFCD-GMLSHWJRSA-N
MW1902.47 g/mol
LogP13.46
Rot. Bonds29

About (4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide

(4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide (PubChem CID 160774526) has the molecular formula C107H117N21O8S2 and a molecular weight of 1902.47 g/mol. Its IUPAC name is (4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name(4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide
PubChem CID160774526
Molecular FormulaC107H117N21O8S2
Molecular Weight1902.47 g/mol
Exact Mass1900.97
IUPAC Name(4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide
SMILESCC(C)(O)[C@@H](CC(=O)Cc1cc2c(cn1)C(N1CCc3ncsc3C1)=NC2)c1ccccc1.C[C@@H](NC(=O)Cc1cc2c(cn1)C(N1CCc3ncsc3C1)=NC2)c1ccccc1.[2H]C([2H])([2H])C(=O)NC1=NCc2cc(CC(=O)N[C@H](C)c3ccccc3)ncc21.[2H]C([2H])([2H])C([2H])([2H])/N=C1\NCc2cc(CC(=O)N[C@H](C)c3ccccc3)ncc21.[2H]C([2H])([2H])C([2H])([2H])/N=C1\NCc2cc(CC(=O)N[C@H](COC)c3ccccc3)ncc21
InChIInChI=1S/C26H28N4O2S.C23H23N5OS.C20H24N4O2.C19H20N4O2.C19H22N4O/c1-26(2,32)22(17-6-4-3-5-7-17)12-20(31)11-19-10-18-13-28-25(21(18)14-27-19)30-9-8-23-24(15-30)33-16-29-23;1-15(16-5-3-2-4-6-16)27-22(29)10-18-9-17-11-25-23(19(17)12-24-18)28-8-7-20-21(13-28)30-14-26-20;1-3-21-20-17-12-22-16(9-15(17)11-23-20)10-19(25)24-18(13-26-2)14-7-5-4-6-8-14;1-12(14-6-4-3-5-7-14)22-18(25)9-16-8-15-10-21-19(23-13(2)24)17(15)11-20-16;1-3-20-19-17-12-21-16(9-15(17)11-22-19)10-18(24)23-13(2)14-7-5-4-6-8-14/h3-7,10,14,16,22,32H,8-9,11-13,15H2,1-2H3;2-6,9,12,14-15H,7-8,10-11,13H2,1H3,(H,27,29);4-9,12,18H,3,10-11,13H2,1-2H3,(H,21,23)(H,24,25);3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,21,23,24);4-9,12-13H,3,10-11H2,1-2H3,(H,20,22)(H,23,24)/t22-;15-;18-;12-;13-/m01111/s1/i;;1D3,3D2;2D3;1D3,3D2
InChIKeyRZTNTEWZNQZFCD-GMLSHWJRSA-N
XLogP13.46
TPSA374.60 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001902.47
LogP ≤ 513.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide?
The IUPAC name of (4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide (CID 160774526) is (4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide.
What is the SMILES notation for (4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide?
The canonical SMILES for (4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide is CC(C)(O)[C@@H](CC(=O)Cc1cc2c(cn1)C(N1CCc3ncsc3C1)=NC2)c1ccccc1.C[C@@H](NC(=O)Cc1cc2c(cn1)C(N1CCc3ncsc3C1)=NC2)c1ccccc1.[2H]C([2H])([2H])C(=O)NC1=NCc2cc(CC(=O)N[C@H](C)c3ccccc3)ncc21.[2H]C([2H])([2H])C([2H])([2H])/N=C1\NCc2cc(CC(=O)N[C@H](C)c3ccccc3)ncc21.[2H]C([2H])([2H])C([2H])([2H])/N=C1\NCc2cc(CC(=O)N[C@H](COC)c3ccccc3)ncc21.
What is the InChIKey of (4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide?
The InChIKey is RZTNTEWZNQZFCD-GMLSHWJRSA-N. The full InChI is InChI=1S/C26H28N4O2S.C23H23N5OS.C20H24N4O2.C19H20N4O2.C19H22N4O/c1-26(2,32)22(17-6-4-3-5-7-17)12-20(31)11-19-10-18-13-28-25(21(18)14-27-19)30-9-8-23-24(15-30)33-16-29-23;1-15(16-5-3-2-4-6-16)27-22(29)10-18-9-17-11-25-23(19(17)12-24-18)28-8-7-20-21(13-28)30-14-26-20;1-3-21-20-17-12-22-16(9-15(17)11-23-20)10-19(25)24-18(13-26-2)14-7-5-4-6-8-14;1-12(14-6-4-3-5-7-14)22-18(25)9-16-8-15-10-21-19(23-13(2)24)17(15)11-20-16;1-3-20-19-17-12-21-16(9-15(17)11-22-19)10-18(24)23-13(2)14-7-5-4-6-8-14/h3-7,10,14,16,22,32H,8-9,11-13,15H2,1-2H3;2-6,9,12,14-15H,7-8,10-11,13H2,1H3,(H,27,29);4-9,12,18H,3,10-11,13H2,1-2H3,(H,21,23)(H,24,25);3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,21,23,24);4-9,12-13H,3,10-11H2,1-2H3,(H,20,22)(H,23,24)/t22-;15-;18-;12-;13-/m01111/s1/i;;1D3,3D2;2D3;1D3,3D2.
What are the key properties of (4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide?
(4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide has a molecular weight of 1902.47 g/mol, XLogP of 13.46, 29 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-hydroxy-5-methyl-4-phenylhexan-2-one;2-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;N-[(1S)-2-methoxy-1-phenylethyl]-2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]acetamide;2-[3-(1,1,2,2,2-pentadeuterioethylimino)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide;2,2,2-trideuterio-N-[6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 160774526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).