19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one

C172H185F10N41O10 — CID 164971242

About 19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one

19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one (PubChem CID 164971242) has the molecular formula C172H185F10N41O10 and a molecular weight of 3176.63 g/mol. Its IUPAC name is 19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one.

Molecular Properties

• Compound Name: 19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one
• PubChem CID: 164971242
• Molecular Formula: C172H185F10N41O10
• Molecular Weight: 3176.63 g/mol
• Exact Mass: 3174.51
• IUPAC Name: 19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2CCn2nccc2-c2ccnc(C(C)C)c2-3)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2CCn2nncc2-c2ccnc(C(C)C)c2-3)[C@@H](C)C1.C=CC(=O)N1C[C@H](C)N(C2NC(=O)N3C4NC(C(F)CC42)C2C(F)CCCC2CCn2cccc2C2CCNC(C(C)C)C23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2CCn2nccc2-c2ccnc(C(C)C)c2-3)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2CCn2nncc2-c2ccnc(C(C)C)c2-3)C[C@H]1C
• InChI: InChI=1S/C36H55F2N7O2.C35H34F2N8O2.C34H33F2N9O2.C34H32F2N8O2.C33H31F2N9O2/c1-6-29(46)43-18-22(5)44(19-21(43)4)34-25-17-27(38)32-30-23(9-7-10-26(30)37)13-16-42-15-8-11-28(42)24-12-14-39-31(20(2)3)33(24)45(35(25)40-32)36(47)41-34;1-6-28(46)42-17-21(5)43(18-20(42)4)33-24-16-26(37)31-29-22(8-7-9-25(29)36)12-15-44-27(11-14-39-44)23-10-13-38-30(19(2)3)32(23)45(34(24)40-31)35(47)41-33;1-6-27(46)42-16-20(5)43(17-19(42)4)32-23-14-25(36)30-28-21(8-7-9-24(28)35)11-13-44-26(15-38-41-44)22-10-12-37-29(18(2)3)31(22)45(33(23)39-30)34(47)40-32;1-5-27(45)41-15-16-42(20(4)18-41)32-23-17-25(36)30-28-21(7-6-8-24(28)35)11-14-43-26(10-13-38-43)22-9-12-37-29(19(2)3)31(22)44(33(23)39-30)34(46)40-32;1-5-26(45)41-13-14-42(19(4)17-41)31-22-15-24(35)29-27-20(7-6-8-23(27)34)10-12-43-25(16-37-40-43)21-9-11-36-28(18(2)3)30(21)44(32(22)38-29)33(46)39-31/h6,8,11,15,20-27,30-35,39-40H,1,7,9-10,12-14,16-19H2,2-5H3,(H,41,47);6-11,13-14,16,19-21H,1,12,15,17-18H2,2-5H3;6-10,12,14-15,18-20H,1,11,13,16-17H2,2-5H3;5-10,12-13,17,19-20H,1,11,14-16,18H2,2-4H3;5-9,11,15-16,18-19H,1,10,12-14,17H2,2-4H3/t21-,22+,23?,24?,25?,26?,27?,30?,31?,32?,33?,34?,35?;20-,21+;19-,20+;20-;19-/m11100/s1
• InChIKey: LKFNUQHILOTQNF-OPTCAKQDSA-N
• XLogP: 23.33
• TPSA: 518.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 15
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3176.63
LogP ≤ 5	23.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one?

The IUPAC name of 19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one (CID 164971242) is 19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one.

What is the SMILES notation for 19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one?

The canonical SMILES for 19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one is C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2CCn2nccc2-c2ccnc(C(C)C)c2-3)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2CCn2nncc2-c2ccnc(C(C)C)c2-3)[C@@H](C)C1.C=CC(=O)N1C[C@H](C)N(C2NC(=O)N3C4NC(C(F)CC42)C2C(F)CCCC2CCn2cccc2C2CCNC(C(C)C)C23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2CCn2nccc2-c2ccnc(C(C)C)c2-3)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2CCn2nncc2-c2ccnc(C(C)C)c2-3)C[C@H]1C.

What is the InChIKey of 19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one?

The InChIKey is LKFNUQHILOTQNF-OPTCAKQDSA-N. The full InChI is InChI=1S/C36H55F2N7O2.C35H34F2N8O2.C34H33F2N9O2.C34H32F2N8O2.C33H31F2N9O2/c1-6-29(46)43-18-22(5)44(19-21(43)4)34-25-17-27(38)32-30-23(9-7-10-26(30)37)13-16-42-15-8-11-28(42)24-12-14-39-31(20(2)3)33(24)45(35(25)40-32)36(47)41-34;1-6-28(46)42-17-21(5)43(18-20(42)4)33-24-16-26(37)31-29-22(8-7-9-25(29)36)12-15-44-27(11-14-39-44)23-10-13-38-30(19(2)3)32(23)45(34(24)40-31)35(47)41-33;1-6-27(46)42-16-20(5)43(17-19(42)4)32-23-14-25(36)30-28-21(8-7-9-24(28)35)11-13-44-26(15-38-41-44)22-10-12-37-29(18(2)3)31(22)45(33(23)39-30)34(47)40-32;1-5-27(45)41-15-16-42(20(4)18-41)32-23-17-25(36)30-28-21(7-6-8-24(28)35)11-14-43-26(10-13-38-43)22-9-12-37-29(19(2)3)31(22)44(33(23)39-30)34(46)40-32;1-5-26(45)41-13-14-42(19(4)17-41)31-22-15-24(35)29-27-20(7-6-8-23(27)34)10-12-43-25(16-37-40-43)21-9-11-36-28(18(2)3)30(21)44(32(22)38-29)33(46)39-31/h6,8,11,15,20-27,30-35,39-40H,1,7,9-10,12-14,16-19H2,2-5H3,(H,41,47);6-11,13-14,16,19-21H,1,12,15,17-18H2,2-5H3;6-10,12,14-15,18-20H,1,11,13,16-17H2,2-5H3;5-10,12-13,17,19-20H,1,11,14-16,18H2,2-4H3;5-9,11,15-16,18-19H,1,10,12-14,17H2,2-4H3/t21-,22+,23?,24?,25?,26?,27?,30?,31?,32?,33?,34?,35?;20-,21+;19-,20+;20-;19-/m11100/s1.

What are the key properties of 19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one?

19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one has a molecular weight of 3176.63 g/mol, XLogP of 23.33, 15 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;19,22-difluoro-25-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,10,11,12,26,29-heptazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,11,12,26,29-hexazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-2(7),3,5,8,10,15(20),16,18,21,23,25,28-dodecaen-27-one;25-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-19,22-difluoro-3-propan-2-yl-1,4,12,26,29-pentazahexacyclo[19.6.2.02,7.08,12.015,20.024,28]nonacosa-8,10-dien-27-one is sourced from PubChem (CID 164971242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).