(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

C91H72BrCl3F6N14O9 — CID 159829323

About (2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 159829323) has the molecular formula C91H72BrCl3F6N14O9 and a molecular weight of 1805.92 g/mol. Its IUPAC name is (2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
• PubChem CID: 159829323
• Molecular Formula: C91H72BrCl3F6N14O9
• Molecular Weight: 1805.92 g/mol
• Exact Mass: 1802.38
• IUPAC Name: (2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
• SMILES: CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccc4c(c3Cl)C=CC4)c2F)c2ccccc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccc4c(c3Cl)C=CC4)c2F)c2cnccc12.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccc4c(c3Cl)C=CC4)c2F)c2ccc(Br)cc12
• InChI: InChI=1S/C31H25ClF2N4O3.C30H23BrClF2N5O3.C30H24ClF2N5O3/c1-17(39)30-23-7-2-3-11-25(23)38(36-30)16-27(40)37-15-19(33)14-26(37)31(41)35-24-10-5-9-22(29(24)34)21-13-12-18-6-4-8-20(18)28(21)32;31-16-8-10-23-21(11-16)28(29(35)41)37-39(23)14-25(40)38-13-17(33)12-24(38)30(42)36-22-6-2-5-20(27(22)34)19-9-7-15-3-1-4-18(15)26(19)32;1-16(39)29-22-10-11-34-13-25(22)38(36-29)15-26(40)37-14-18(32)12-24(37)30(41)35-23-7-3-6-21(28(23)33)20-9-8-17-4-2-5-19(17)27(20)31/h2-5,7-13,19,26H,6,14-16H2,1H3,(H,35,41);1-2,4-11,17,24H,3,12-14H2,(H2,35,41)(H,36,42);2-3,5-11,13,18,24H,4,12,14-15H2,1H3,(H,35,41)/t19-,26+;17-,24+;18-,24+/m111/s1
• InChIKey: NNGIJYGQVWGIOZ-MJDLWBKFSA-N
• XLogP: 16.59
• TPSA: 291.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.92
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?

The IUPAC name of (2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (CID 159829323) is (2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.

What is the SMILES notation for (2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?

The canonical SMILES for (2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccc4c(c3Cl)C=CC4)c2F)c2ccccc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccc4c(c3Cl)C=CC4)c2F)c2cnccc12.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccc4c(c3Cl)C=CC4)c2F)c2ccc(Br)cc12.

What is the InChIKey of (2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?

The InChIKey is NNGIJYGQVWGIOZ-MJDLWBKFSA-N. The full InChI is InChI=1S/C31H25ClF2N4O3.C30H23BrClF2N5O3.C30H24ClF2N5O3/c1-17(39)30-23-7-2-3-11-25(23)38(36-30)16-27(40)37-15-19(33)14-26(37)31(41)35-24-10-5-9-22(29(24)34)21-13-12-18-6-4-8-20(18)28(21)32;31-16-8-10-23-21(11-16)28(29(35)41)37-39(23)14-25(40)38-13-17(33)12-24(38)30(42)36-22-6-2-5-20(27(22)34)19-9-7-15-3-1-4-18(15)26(19)32;1-16(39)29-22-10-11-34-13-25(22)38(36-29)15-26(40)37-14-18(32)12-24(37)30(41)35-23-7-3-6-21(28(23)33)20-9-8-17-4-2-5-19(17)27(20)31/h2-5,7-13,19,26H,6,14-16H2,1H3,(H,35,41);1-2,4-11,17,24H,3,12-14H2,(H2,35,41)(H,36,42);2-3,5-11,13,18,24H,4,12,14-15H2,1H3,(H,35,41)/t19-,26+;17-,24+;18-,24+/m111/s1.

What are the key properties of (2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?

(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 1805.92 g/mol, XLogP of 16.59, 18 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;5-bromo-1-[2-[(2S,4R)-2-[[3-(4-chloro-1H-inden-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 159829323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).