4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione

C174H160F4N26O24 — CID 160685891

About 4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione

4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 160685891) has the molecular formula C174H160F4N26O24 and a molecular weight of 3075.34 g/mol. Its IUPAC name is 4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

• Compound Name: 4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione
• PubChem CID: 160685891
• Molecular Formula: C174H160F4N26O24
• Molecular Weight: 3075.34 g/mol
• Exact Mass: 3073.20
• IUPAC Name: 4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione
• SMILES: N#Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)N3C2=O)c2cc(OCCCCC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)ccc12.N#Cc1ccc(N2C(=O)[C@H]3C(OCCCCn4nc(Cc5ccc(F)c(C(=O)N6CCN(C(=O)C7CC7)CC6)c5)c5ccccc5c4=O)CCN3C2=O)c2ccccc12.N#Cc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)N3C2=O)c2cc(OCCCN3CCN(C(=O)c4cc(CC5=NCC(=O)c6ccccc65)ccc4F)CC3)ccc12.O=C1CN=C(Cc2ccc(F)c(C(=O)N3CCN(CCCOc4ccc5c([N+](=O)[O-])ccc(N6C(=O)[C@H]7[C@H]8CC[C@H](C8)N7C6=O)c5c4)CC3)c2)c2ccccc21
• InChI: InChI=1S/C45H42FN7O6.C44H40FN7O6.C43H39FN6O5.C42H39FN6O7/c46-36-15-11-28(25-35(36)42(55)50-22-20-49(21-23-50)41(54)29-12-13-29)26-37-32-8-2-4-10-34(32)43(56)52(48-37)18-5-6-24-59-39-17-19-51-40(39)44(57)53(45(51)58)38-16-14-30(27-47)31-7-1-3-9-33(31)38;45-36-14-8-26(22-37-32-5-1-2-6-33(32)41(54)48-47-37)21-35(36)42(55)50-18-16-49(17-19-50)39(53)7-3-4-20-58-30-12-13-31-28(25-46)10-15-38(34(31)24-30)52-43(56)40-27-9-11-29(23-27)51(40)44(52)57;44-36-12-6-26(21-37-32-4-1-2-5-33(32)39(51)25-46-37)20-35(36)41(52)48-17-15-47(16-18-48)14-3-19-55-30-10-11-31-28(24-45)8-13-38(34(31)23-30)50-42(53)40-27-7-9-29(22-27)49(40)43(50)54;43-34-11-6-25(21-35-29-4-1-2-5-31(29)38(50)24-44-35)20-33(34)40(51)46-17-15-45(16-18-46)14-3-19-56-28-9-10-30-32(23-28)36(12-13-37(30)49(54)55)48-41(52)39-26-7-8-27(22-26)47(39)42(48)53/h1-4,7-11,14-16,25,29,39-40H,5-6,12-13,17-24,26H2;1-2,5-6,8,10,12-15,21,24,27,29,40H,3-4,7,9,11,16-20,22-23H2,(H,48,54);1-2,4-6,8,10-13,20,23,27,29,40H,3,7,9,14-19,21-22,25H2;1-2,4-6,9-13,20,23,26-27,39H,3,7-8,14-19,21-22,24H2/t39?,40-;2*27-,29+,40+;26-,27+,39+/m1100/s1
• InChIKey: ROTIABRVGFSLIK-QTTOVFEOSA-N
• XLogP: 22.07
• TPSA: 581.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 40
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3075.34
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione?

The IUPAC name of 4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione (CID 160685891) is 4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione.

What is the SMILES notation for 4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione?

The canonical SMILES for 4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione is N#Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)N3C2=O)c2cc(OCCCCC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)ccc12.N#Cc1ccc(N2C(=O)[C@H]3C(OCCCCn4nc(Cc5ccc(F)c(C(=O)N6CCN(C(=O)C7CC7)CC6)c5)c5ccccc5c4=O)CCN3C2=O)c2ccccc12.N#Cc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)N3C2=O)c2cc(OCCCN3CCN(C(=O)c4cc(CC5=NCC(=O)c6ccccc65)ccc4F)CC3)ccc12.O=C1CN=C(Cc2ccc(F)c(C(=O)N3CCN(CCCOc4ccc5c([N+](=O)[O-])ccc(N6C(=O)[C@H]7[C@H]8CC[C@H](C8)N7C6=O)c5c4)CC3)c2)c2ccccc21.

What is the InChIKey of 4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione?

The InChIKey is ROTIABRVGFSLIK-QTTOVFEOSA-N. The full InChI is InChI=1S/C45H42FN7O6.C44H40FN7O6.C43H39FN6O5.C42H39FN6O7/c46-36-15-11-28(25-35(36)42(55)50-22-20-49(21-23-50)41(54)29-12-13-29)26-37-32-8-2-4-10-34(32)43(56)52(48-37)18-5-6-24-59-39-17-19-51-40(39)44(57)53(45(51)58)38-16-14-30(27-47)31-7-1-3-9-33(31)38;45-36-14-8-26(22-37-32-5-1-2-6-33(32)41(54)48-47-37)21-35(36)42(55)50-18-16-49(17-19-50)39(53)7-3-4-20-58-30-12-13-31-28(25-46)10-15-38(34(31)24-30)52-43(56)40-27-9-11-29(23-27)51(40)44(52)57;44-36-12-6-26(21-37-32-4-1-2-5-33(32)39(51)25-46-37)20-35(36)41(52)48-17-15-47(16-18-48)14-3-19-55-30-10-11-31-28(24-45)8-13-38(34(31)23-30)50-42(53)40-27-7-9-29(22-27)49(40)43(50)54;43-34-11-6-25(21-35-29-4-1-2-5-31(29)38(50)24-44-35)20-33(34)40(51)46-17-15-45(16-18-46)14-3-19-56-28-9-10-30-32(23-28)36(12-13-37(30)49(54)55)48-41(52)39-26-7-8-27(22-26)47(39)42(48)53/h1-4,7-11,14-16,25,29,39-40H,5-6,12-13,17-24,26H2;1-2,5-6,8,10,12-15,21,24,27,29,40H,3-4,7,9,11,16-20,22-23H2,(H,48,54);1-2,4-6,8,10-13,20,23,27,29,40H,3,7,9,14-19,21-22,25H2;1-2,4-6,9-13,20,23,26-27,39H,3,7-8,14-19,21-22,24H2/t39?,40-;2*27-,29+,40+;26-,27+,39+/m1100/s1.

What are the key properties of 4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione?

4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 3075.34 g/mol, XLogP of 22.07, 40 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(7aR)-7-[4-[4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-1-oxophthalazin-2-yl]butoxy]-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]naphthalene-1-carbonitrile;4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]naphthalene-1-carbonitrile;4-[(1S,6S,7R)-3,5-dioxo-2,4-diazatricyclo[5.2.1.02,6]decan-4-yl]-6-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentoxy]naphthalene-1-carbonitrile;(1R,6R,7S)-4-[7-[3-[4-[2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoyl]piperazin-1-yl]propoxy]-4-nitronaphthalen-1-yl]-2,4-diazatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 160685891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).