2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide

C125H102ClF14N13O7S — CID 160754903

About 2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide

2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (PubChem CID 160754903) has the molecular formula C125H102ClF14N13O7S and a molecular weight of 2231.77 g/mol. Its IUPAC name is 2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
• PubChem CID: 160754903
• Molecular Formula: C125H102ClF14N13O7S
• Molecular Weight: 2231.77 g/mol
• Exact Mass: 2229.72
• IUPAC Name: 2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
• SMILES: CNC(=O)c1ccc(-c2cccnc2[C@H](Cc2cc(C)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1Cl.CS(=O)(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(F)cc23)Cc2cc(F)cc(F)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(F)c(F)c2)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)(F)F)c2c1CCCC2
• InChI: InChI=1S/C32H27ClF2N4O2.C32H27F5N4O.C31H25F3N2O3S.C30H23F4N3O/c1-18-10-19(12-23(35)11-18)13-29(39-30(40)15-21-17-38-28-8-6-22(34)16-26(21)28)31-24(4-3-9-37-31)20-5-7-25(27(33)14-20)32(41)36-2;33-23-12-19(13-24(34)16-23)11-21(30-26(7-4-10-38-30)22-14-20-5-3-8-28(20)39-17-22)15-25(42)18-41-29-9-2-1-6-27(29)31(40-41)32(35,36)37;1-40(38,39)27-5-2-4-20(15-27)28-6-3-9-35-31(28)21(10-19-11-24(33)16-25(34)12-19)13-26(37)14-22-18-36-30-8-7-23(32)17-29(22)30;1-17-9-18(11-22(32)10-17)12-28(30-23(3-2-8-35-30)19-4-6-25(33)26(34)13-19)37-29(38)14-20-16-36-27-7-5-21(31)15-24(20)27/h3-12,14,16-17,29,38H,13,15H2,1-2H3,(H,36,41)(H,39,40);3-5,7,10,12-14,16-17,21H,1-2,6,8-9,11,15,18H2;2-9,11-12,15-18,21,36H,10,13-14H2,1H3;2-11,13,15-16,28,36H,12,14H2,1H3,(H,37,38)/t29-;2*21-;28-/m0110/s1
• InChIKey: RXHLXARPUFBPAI-CBMNHGLJSA-N
• XLogP: 26.86
• TPSA: 285.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.77
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?

The IUPAC name of 2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (CID 160754903) is 2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.

What is the SMILES notation for 2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?

The canonical SMILES for 2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is CNC(=O)c1ccc(-c2cccnc2[C@H](Cc2cc(C)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1Cl.CS(=O)(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(F)cc23)Cc2cc(F)cc(F)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(F)c(F)c2)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)(F)F)c2c1CCCC2.

What is the InChIKey of 2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?

The InChIKey is RXHLXARPUFBPAI-CBMNHGLJSA-N. The full InChI is InChI=1S/C32H27ClF2N4O2.C32H27F5N4O.C31H25F3N2O3S.C30H23F4N3O/c1-18-10-19(12-23(35)11-18)13-29(39-30(40)15-21-17-38-28-8-6-22(34)16-26(21)28)31-24(4-3-9-37-31)20-5-7-25(27(33)14-20)32(41)36-2;33-23-12-19(13-24(34)16-23)11-21(30-26(7-4-10-38-30)22-14-20-5-3-8-28(20)39-17-22)15-25(42)18-41-29-9-2-1-6-27(29)31(40-41)32(35,36)37;1-40(38,39)27-5-2-4-20(15-27)28-6-3-9-35-31(28)21(10-19-11-24(33)16-25(34)12-19)13-26(37)14-22-18-36-30-8-7-23(32)17-29(22)30;1-17-9-18(11-22(32)10-17)12-28(30-23(3-2-8-35-30)19-4-6-25(33)26(34)13-19)37-29(38)14-20-16-36-27-7-5-21(31)15-24(20)27/h3-12,14,16-17,29,38H,13,15H2,1-2H3,(H,36,41)(H,39,40);3-5,7,10,12-14,16-17,21H,1-2,6,8-9,11,15,18H2;2-9,11-12,15-18,21,36H,10,13-14H2,1H3;2-11,13,15-16,28,36H,12,14H2,1H3,(H,37,38)/t29-;2*21-;28-/m0110/s1.

What are the key properties of 2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?

2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 2231.77 g/mol, XLogP of 26.86, 32 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 160754903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).