(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C₁₅₆H₁₃₁F₂₃N₂₀O₈ — CID 157206651

About (4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 157206651) has the molecular formula C₁₅₆H₁₃₁F₂₃N₂₀O₈ and a molecular weight of 2850.85 g/mol. Its IUPAC name is (4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: (4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
• PubChem CID: 157206651
• Molecular Formula: C₁₅₆H₁₃₁F₂₃N₂₀O₈
• Molecular Weight: 2850.85 g/mol
• Exact Mass: 2849.01
• IUPAC Name: (4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
• SMILES: CCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1nc(C(F)(F)F)cc1C1CC1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(c2ccccc2)C2CCCC2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cnccc32)ccc1F.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(C(F)(F)F)cc23)cc1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)cc1C(F)F
• InChI: InChI=1S/C34H32F3N3O2.C32H29F6N5O2.C31H24F5N3O.C30H24F3N5O2.C29H22F6N4O/c1-38-33(41)28-19-24(13-14-29(28)37)27-12-7-15-39-32(27)30(18-21-16-25(35)20-26(36)17-21)40-34(42)31(23-10-5-6-11-23)22-8-3-2-4-9-22;1-3-26(43-27(18-6-7-18)16-28(42-43)32(36,37)38)31(45)41-25(13-17-11-20(33)15-21(34)12-17)29-22(5-4-10-40-29)19-8-9-24(35)23(14-19)30(44)39-2;1-18-4-6-20(7-5-18)25-3-2-10-37-30(25)28(13-19-11-23(32)16-24(33)12-19)39-29(40)14-21-17-38-27-9-8-22(15-26(21)27)31(34,35)36;1-34-30(40)24-14-19(4-5-25(24)33)23-3-2-8-36-29(23)26(13-18-11-21(31)15-22(32)12-18)37-28(39)17-38-10-7-20-16-35-9-6-27(20)38;30-20-8-16(9-21(31)12-20)7-18(11-22(40)15-39-26(29(34)35)13-25(38-39)28(32)33)27-23(4-2-6-36-27)19-10-17-3-1-5-24(17)37-14-19/h2-4,7-9,12-17,19-20,23,30-31H,5-6,10-11,18H2,1H3,(H,38,41)(H,40,42);4-5,8-12,14-16,18,25-26H,3,6-7,13H2,1-2H3,(H,39,44)(H,41,45);2-12,15-17,28,38H,13-14H2,1H3,(H,39,40);2-12,14-16,26H,13,17H2,1H3,(H,34,40)(H,37,39);1-4,6,8-10,12-14,18,28-29H,5,7,11,15H2/t30-,31?;25-,26?;28-;26-;18-/m00001/s1
• InChIKey: ARKXANOVSJWJQE-JPEBAQLUSA-N
• XLogP: 33.07
• TPSA: 367.36 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 44
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2850.85
LogP ≤ 5	33.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The IUPAC name of (4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 157206651) is (4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

What is the SMILES notation for (4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The canonical SMILES for (4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1nc(C(F)(F)F)cc1C1CC1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(c2ccccc2)C2CCCC2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cnccc32)ccc1F.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(C(F)(F)F)cc23)cc1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)cc1C(F)F.

What is the InChIKey of (4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The InChIKey is ARKXANOVSJWJQE-JPEBAQLUSA-N. The full InChI is InChI=1S/C34H32F3N3O2.C32H29F6N5O2.C31H24F5N3O.C30H24F3N5O2.C29H22F6N4O/c1-38-33(41)28-19-24(13-14-29(28)37)27-12-7-15-39-32(27)30(18-21-16-25(35)20-26(36)17-21)40-34(42)31(23-10-5-6-11-23)22-8-3-2-4-9-22;1-3-26(43-27(18-6-7-18)16-28(42-43)32(36,37)38)31(45)41-25(13-17-11-20(33)15-21(34)12-17)29-22(5-4-10-40-29)19-8-9-24(35)23(14-19)30(44)39-2;1-18-4-6-20(7-5-18)25-3-2-10-37-30(25)28(13-19-11-23(32)16-24(33)12-19)39-29(40)14-21-17-38-27-9-8-22(15-26(21)27)31(34,35)36;1-34-30(40)24-14-19(4-5-25(24)33)23-3-2-8-36-29(23)26(13-18-11-21(31)15-22(32)12-18)37-28(39)17-38-10-7-20-16-35-9-6-27(20)38;30-20-8-16(9-21(31)12-20)7-18(11-22(40)15-39-26(29(34)35)13-25(38-39)28(32)33)27-23(4-2-6-36-27)19-10-17-3-1-5-24(17)37-14-19/h2-4,7-9,12-17,19-20,23,30-31H,5-6,10-11,18H2,1H3,(H,38,41)(H,40,42);4-5,8-12,14-16,18,25-26H,3,6-7,13H2,1-2H3,(H,39,44)(H,41,45);2-12,15-17,28,38H,13-14H2,1H3,(H,39,40);2-12,14-16,26H,13,17H2,1H3,(H,34,40)(H,37,39);1-4,6,8-10,12-14,18,28-29H,5,7,11,15H2/t30-,31?;25-,26?;28-;26-;18-/m00001/s1.

What are the key properties of (4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2850.85 g/mol, XLogP of 33.07, 44 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 157206651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157206651 — identifiers, structure, computed properties (public domain)

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