5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid

C62H64F6N12O12 — CID 158539569

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid

5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid (PubChem CID 158539569) has the molecular formula C62H64F6N12O12 and a molecular weight of 1283.25 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid.

Molecular Properties

• Compound Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
• PubChem CID: 158539569
• Molecular Formula: C62H64F6N12O12
• Molecular Weight: 1283.25 g/mol
• Exact Mass: 1282.47
• IUPAC Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
• SMILES: CCOC(=O)Cn1nc(C)c2c1CCC2=O.CCOC(=O)Cn1nc(C)c2c1CCNC2=O.Cc1nn(CC(=O)O)c2c1C(=O)NCC2.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C(F)(F)F)c3c2CCNC3=O)Cc2cc(F)cc(F)c2)ccc1F
• InChI: InChI=1S/C31H24F6N4O3.C11H15N3O3.C11H14N2O3.C9H11N3O3/c32-19-9-16(10-20(33)13-19)8-18(28-22(2-1-6-39-28)17-3-4-25(34)23(12-17)29(38)43)11-21(42)14-41-15-24(31(35,36)37)27-26(41)5-7-40-30(27)44;1-3-17-9(15)6-14-8-4-5-12-11(16)10(8)7(2)13-14;1-3-16-10(15)6-13-8-4-5-9(14)11(8)7(2)12-13;1-5-8-6(2-3-10-9(8)15)12(11-5)4-7(13)14/h1-4,6,9-10,12-13,15,18H,5,7-8,11,14H2,(H2,38,43)(H,40,44);3-6H2,1-2H3,(H,12,16);3-6H2,1-2H3;2-4H2,1H3,(H,10,15)(H,13,14)/t18-;;;/m1.../s1
• InChIKey: HOIUEZIBDQDDTF-YTNSDAIYSA-N
• XLogP: 5.84
• TPSA: 325.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1283.25
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid?

The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid (CID 158539569) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid.

What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid?

The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid is CCOC(=O)Cn1nc(C)c2c1CCC2=O.CCOC(=O)Cn1nc(C)c2c1CCNC2=O.Cc1nn(CC(=O)O)c2c1C(=O)NCC2.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C(F)(F)F)c3c2CCNC3=O)Cc2cc(F)cc(F)c2)ccc1F.

What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid?

The InChIKey is HOIUEZIBDQDDTF-YTNSDAIYSA-N. The full InChI is InChI=1S/C31H24F6N4O3.C11H15N3O3.C11H14N2O3.C9H11N3O3/c32-19-9-16(10-20(33)13-19)8-18(28-22(2-1-6-39-28)17-3-4-25(34)23(12-17)29(38)43)11-21(42)14-41-15-24(31(35,36)37)27-26(41)5-7-40-30(27)44;1-3-17-9(15)6-14-8-4-5-12-11(16)10(8)7(2)13-14;1-3-16-10(15)6-13-8-4-5-9(14)11(8)7(2)12-13;1-5-8-6(2-3-10-9(8)15)12(11-5)4-7(13)14/h1-4,6,9-10,12-13,15,18H,5,7-8,11,14H2,(H2,38,43)(H,40,44);3-6H2,1-2H3,(H,12,16);3-6H2,1-2H3;2-4H2,1H3,(H,10,15)(H,13,14)/t18-;;;/m1.../s1.

What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid?

5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid has a molecular weight of 1283.25 g/mol, XLogP of 5.84, 17 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-(3-methyl-4-oxo-5,6-dihydrocyclopenta[d]pyrazol-1-yl)acetate;ethyl 2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetate;2-(3-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid is sourced from PubChem (CID 158539569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).