N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C157H132F25N26O8+ — CID 160919596

About N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 160919596) has the molecular formula C157H132F25N26O8+ and a molecular weight of 2985.91 g/mol. Its IUPAC name is N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
• PubChem CID: 160919596
• Molecular Formula: C157H132F25N26O8+
• Molecular Weight: 2985.91 g/mol
• Exact Mass: 2984.03
• IUPAC Name: N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
• SMILES: C=C(N)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=C(C)CN=C2c2ccccc2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C[n+]2[nH]c(OCC)c3c2CCCC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CC2CC32)ccc1F.CNC(=O)c1cc(-c2cncnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)ccc1F.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2
• InChI: InChI=1S/C34H29F3N4O.C32H32F3N5O2.C31H25F6N5O2.C30H23F7N6O2.C30H22F6N6O/c1-20-19-40-33(23-7-4-3-5-8-23)28(20)18-32(42)41-31(15-22-13-25(35)17-26(36)14-22)34-27(9-6-12-39-34)24-10-11-30(37)29(16-24)21(2)38;1-3-42-32-25-7-4-5-9-29(25)40(39-32)18-30(41)38-28(15-20-13-22(33)17-23(34)14-20)31-24(8-6-12-37-31)21-10-11-27(35)26(16-21)19(2)36;1-38-30(44)22-10-16(4-5-23(22)34)20-3-2-6-39-28(20)24(9-15-7-18(32)13-19(33)8-15)40-26(43)14-42-25-12-17-11-21(17)27(25)29(41-42)31(35,36)37;1-38-29(45)18-7-14(2-3-21(18)33)19-10-39-12-40-25(19)22(6-13-4-15(31)8-16(32)5-13)41-23(44)11-43-27-24(26(42-43)28(34)35)17-9-20(17)30(27,36)37;31-17-4-14(5-18(32)8-17)6-23(26-20(11-37-13-39-26)16-7-15-2-1-3-22(15)38-10-16)40-24(43)12-42-28-25(27(41-42)29(33)34)19-9-21(19)30(28,35)36/h3-14,16-17,31H,2,15,18-19,38H2,1H3,(H,41,42);6,8,10-14,16-17,28H,2-5,7,9,15,18,36H2,1H3,(H,38,41);2-8,10,13,17,21,24H,9,11-12,14H2,1H3,(H,38,44)(H,40,43);2-5,7-8,10,12,17,20,22,28H,6,9,11H2,1H3,(H,38,45)(H,41,44);1-2,4-5,7-8,10-11,13,19,21,23,29H,3,6,9,12H2,(H,40,43)/p+1/t31-;28-;17?,21?,24-;17?,20?,22-;19?,21?,23-/m00000/s1
• InChIKey: YTHKVMZRCDASEX-FMFHLCDESA-O
• XLogP: 28.49
• TPSA: 453.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 44
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2985.91
LogP ≤ 5	28.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The IUPAC name of N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 160919596) is N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

What is the SMILES notation for N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The canonical SMILES for N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is C=C(N)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=C(C)CN=C2c2ccccc2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C[n+]2[nH]c(OCC)c3c2CCCC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CC2CC32)ccc1F.CNC(=O)c1cc(-c2cncnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)ccc1F.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2.

What is the InChIKey of N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The InChIKey is YTHKVMZRCDASEX-FMFHLCDESA-O. The full InChI is InChI=1S/C34H29F3N4O.C32H32F3N5O2.C31H25F6N5O2.C30H23F7N6O2.C30H22F6N6O/c1-20-19-40-33(23-7-4-3-5-8-23)28(20)18-32(42)41-31(15-22-13-25(35)17-26(36)14-22)34-27(9-6-12-39-34)24-10-11-30(37)29(16-24)21(2)38;1-3-42-32-25-7-4-5-9-29(25)40(39-32)18-30(41)38-28(15-20-13-22(33)17-23(34)14-20)31-24(8-6-12-37-31)21-10-11-27(35)26(16-21)19(2)36;1-38-30(44)22-10-16(4-5-23(22)34)20-3-2-6-39-28(20)24(9-15-7-18(32)13-19(33)8-15)40-26(43)14-42-25-12-17-11-21(17)27(25)29(41-42)31(35,36)37;1-38-29(45)18-7-14(2-3-21(18)33)19-10-39-12-40-25(19)22(6-13-4-15(31)8-16(32)5-13)41-23(44)11-43-27-24(26(42-43)28(34)35)17-9-20(17)30(27,36)37;31-17-4-14(5-18(32)8-17)6-23(26-20(11-37-13-39-26)16-7-15-2-1-3-22(15)38-10-16)40-24(43)12-42-28-25(27(41-42)29(33)34)19-9-21(19)30(28,35)36/h3-14,16-17,31H,2,15,18-19,38H2,1H3,(H,41,42);6,8,10-14,16-17,28H,2-5,7,9,15,18,36H2,1H3,(H,38,41);2-8,10,13,17,21,24H,9,11-12,14H2,1H3,(H,38,44)(H,40,43);2-5,7-8,10,12,17,20,22,28H,6,9,11H2,1H3,(H,38,45)(H,41,44);1-2,4-5,7-8,10-11,13,19,21,23,29H,3,6,9,12H2,(H,40,43)/p+1/t31-;28-;17?,21?,24-;17?,20?,22-;19?,21?,23-/m00000/s1.

What are the key properties of N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2985.91 g/mol, XLogP of 28.49, 44 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(3-methyl-5-phenyl-2H-pyrrol-4-yl)acetamide;N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 160919596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).