3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one

C164H136F20N16O9S — CID 159184510

About 3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one

3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one (PubChem CID 159184510) has the molecular formula C164H136F20N16O9S and a molecular weight of 2887.02 g/mol. Its IUPAC name is 3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one.

Molecular Properties

• Compound Name: 3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one
• PubChem CID: 159184510
• Molecular Formula: C164H136F20N16O9S
• Molecular Weight: 2887.02 g/mol
• Exact Mass: 2885.01
• IUPAC Name: 3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one
• SMILES: C#Cc1cccc(-c2cccnc2[C@@H](CC(=O)Cn2ccc3ccccc32)Cc2cc(F)cc(F)c2)c1.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C=O)c3c2C2CC(C3)C2)Cc2cc(F)cc(F)c2)ccc1F.CC1=NCC(C)=C1c1cccnc1[C@@H](CC(=O)Cc1c[nH]c2ccc(F)cc12)Cc1cc(F)cc(F)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(S(=O)(=O)CC2CCCCC2)cc1)Cn1nc(C(F)F)c2c1C(F)(F)C1CC21.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2cccnc2c1
• InChI: InChI=1S/C37H35F6N3O3S.C33H28F3N3O3.C32H23F6N5O.C32H24F2N2O.C30H26F3N3O/c38-25-14-22(15-26(39)17-25)13-24(16-27(47)19-46-35-32(34(45-46)36(40)41)30-18-31(30)37(35,42)43)33-29(7-4-12-44-33)23-8-10-28(11-9-23)50(48,49)20-21-5-2-1-3-6-21;1-18(41)28-14-21(4-5-30(28)36)27-3-2-6-37-32(27)22(7-20-10-24(34)15-25(35)11-20)13-26(42)16-39-33-23-8-19(9-23)12-29(33)31(17-40)38-39;33-19-9-16(10-20(34)13-19)11-25(28-21(4-2-8-40-28)18-6-5-17-3-1-7-39-24(17)12-18)41-26(44)15-43-30-27(29(42-43)31(35)36)22-14-23(22)32(30,37)38;1-2-22-7-5-9-25(15-22)30-10-6-13-35-32(30)26(16-23-17-27(33)20-28(34)18-23)19-29(37)21-36-14-12-24-8-3-4-11-31(24)36;1-17-15-35-18(2)29(17)26-4-3-7-34-30(26)20(8-19-9-23(32)13-24(33)10-19)11-25(37)12-21-16-36-28-6-5-22(31)14-27(21)28/h4,7-12,14-15,17,21,24,30-31,36H,1-3,5-6,13,16,18-20H2;2-6,10-11,14-15,17,19,22-23H,7-9,12-13,16H2,1H3;1-10,12-13,22-23,25,31H,11,14-15H2,(H,41,44);1,3-15,17-18,20,26H,16,19,21H2;3-7,9-10,13-14,16,20,36H,8,11-12,15H2,1-2H3/t24-,30?,31?;19?,22-,23?;22?,23?,25-;26-;20-/m11011/s1
• InChIKey: KNHUBABNJCYHEI-QYXBWVALSA-N
• XLogP: 35.85
• TPSA: 329.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 46
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2887.02
LogP ≤ 5	35.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one?

The IUPAC name of 3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one (CID 159184510) is 3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one.

What is the SMILES notation for 3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one?

The canonical SMILES for 3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one is C#Cc1cccc(-c2cccnc2[C@@H](CC(=O)Cn2ccc3ccccc32)Cc2cc(F)cc(F)c2)c1.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C=O)c3c2C2CC(C3)C2)Cc2cc(F)cc(F)c2)ccc1F.CC1=NCC(C)=C1c1cccnc1[C@@H](CC(=O)Cc1c[nH]c2ccc(F)cc12)Cc1cc(F)cc(F)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(S(=O)(=O)CC2CCCCC2)cc1)Cn1nc(C(F)F)c2c1C(F)(F)C1CC21.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2cccnc2c1.

What is the InChIKey of 3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one?

The InChIKey is KNHUBABNJCYHEI-QYXBWVALSA-N. The full InChI is InChI=1S/C37H35F6N3O3S.C33H28F3N3O3.C32H23F6N5O.C32H24F2N2O.C30H26F3N3O/c38-25-14-22(15-26(39)17-25)13-24(16-27(47)19-46-35-32(34(45-46)36(40)41)30-18-31(30)37(35,42)43)33-29(7-4-12-44-33)23-8-10-28(11-9-23)50(48,49)20-21-5-2-1-3-6-21;1-18(41)28-14-21(4-5-30(28)36)27-3-2-6-37-32(27)22(7-20-10-24(34)15-25(35)11-20)13-26(42)16-39-33-23-8-19(9-23)12-29(33)31(17-40)38-39;33-19-9-16(10-20(34)13-19)11-25(28-21(4-2-8-40-28)18-6-5-17-3-1-7-39-24(17)12-18)41-26(44)15-43-30-27(29(42-43)31(35)36)22-14-23(22)32(30,37)38;1-2-22-7-5-9-25(15-22)30-10-6-13-35-32(30)26(16-23-17-27(33)20-28(34)18-23)19-29(37)21-36-14-12-24-8-3-4-11-31(24)36;1-17-15-35-18(2)29(17)26-4-3-7-34-30(26)20(8-19-9-23(32)13-24(33)10-19)11-25(37)12-21-16-36-28-6-5-22(31)14-27(21)28/h4,7-12,14-15,17,21,24,30-31,36H,1-3,5-6,13,16,18-20H2;2-6,10-11,14-15,17,19,22-23H,7-9,12-13,16H2,1H3;1-10,12-13,22-23,25,31H,11,14-15H2,(H,41,44);1,3-15,17-18,20,26H,16,19,21H2;3-7,9-10,13-14,16,20,36H,8,11-12,15H2,1-2H3/t24-,30?,31?;19?,22-,23?;22?,23?,25-;26-;20-/m11011/s1.

What are the key properties of 3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one?

3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one has a molecular weight of 2887.02 g/mol, XLogP of 35.85, 46 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;(4R)-4-[3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-pyridinyl]-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-7-yl-2-pyridinyl)ethyl]acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynylphenyl)-2-pyridinyl]-1-indol-1-ylpentan-2-one is sourced from PubChem (CID 159184510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).