24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one

C136H172F8N36O8 — CID 165069168

IUPAC24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one
SMILESC=CC(=O)N1CC(C)N(C2NC(=O)N3C4NC(C(F)CC24)C2C(F)CCCC2Cc2cnnn2CC2CCNC(C(C)C)C23)CC1C.C=CC(=O)N1CC(C)N(C2NC(=O)N3C4NC(C(F)CC24)C2C(F)CCCC2Cn2cc(nn2)CC2CCNC(C(C)C)C23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2Cc2cn(nn2)Cc2ccnc(C(C)C)c2-3)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2Cn2nncc2Cc2ccnc(C(C)C)c2-3)CC1C
InChIInChI=1S/C34H33F2N9O2.2C34H53F2N9O2.C34H33F2N9O2/c1-6-27(46)42-15-20(5)43(16-19(42)4)32-24-13-26(36)30-28-22(8-7-9-25(28)35)17-44-23(14-38-41-44)12-21-10-11-37-29(18(2)3)31(21)45(33(24)39-30)34(47)40-32;1-6-27(46)42-15-20(5)43(16-19(42)4)32-24-13-26(36)30-28-21(8-7-9-25(28)35)12-23-14-38-41-44(23)17-22-10-11-37-29(18(2)3)31(22)45(33(24)39-30)34(47)40-32;1-6-27(46)43-14-20(5)44(15-19(43)4)32-24-13-26(36)30-28-22(8-7-9-25(28)35)16-42-17-23(40-41-42)12-21-10-11-37-29(18(2)3)31(21)45(33(24)38-30)34(47)39-32;1-6-27(46)43-14-20(5)44(15-19(43)4)32-24-13-26(36)30-28-21(8-7-9-25(28)35)12-23-17-42(41-40-23)16-22-10-11-37-29(18(2)3)31(22)45(33(24)38-30)34(47)39-32/h6-11,13-14,18-20H,1,12,15-17H2,2-5H3;6,14,18-22,24-26,28-33,37,39H,1,7-13,15-17H2,2-5H3,(H,40,47);6,17-22,24-26,28-33,37-38H,1,7-16H2,2-5H3,(H,39,47);6-11,13,17-20H,1,12,14-16H2,2-5H3
InChIKeyNZKYNJNTAYWISU-UHFFFAOYSA-N
MW2591.10 g/mol
LogP14.18
Rot. Bonds12

About 24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one

24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one (PubChem CID 165069168) has the molecular formula C136H172F8N36O8 and a molecular weight of 2591.10 g/mol. Its IUPAC name is 24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one.

Molecular Properties

Compound Name24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one
PubChem CID165069168
Molecular FormulaC136H172F8N36O8
Molecular Weight2591.10 g/mol
Exact Mass2589.40
IUPAC Name24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one
SMILESC=CC(=O)N1CC(C)N(C2NC(=O)N3C4NC(C(F)CC24)C2C(F)CCCC2Cc2cnnn2CC2CCNC(C(C)C)C23)CC1C.C=CC(=O)N1CC(C)N(C2NC(=O)N3C4NC(C(F)CC24)C2C(F)CCCC2Cn2cc(nn2)CC2CCNC(C(C)C)C23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2Cc2cn(nn2)Cc2ccnc(C(C)C)c2-3)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2Cn2nncc2Cc2ccnc(C(C)C)c2-3)CC1C
InChIInChI=1S/C34H33F2N9O2.2C34H53F2N9O2.C34H33F2N9O2/c1-6-27(46)42-15-20(5)43(16-19(42)4)32-24-13-26(36)30-28-22(8-7-9-25(28)35)17-44-23(14-38-41-44)12-21-10-11-37-29(18(2)3)31(21)45(33(24)39-30)34(47)40-32;1-6-27(46)42-15-20(5)43(16-19(42)4)32-24-13-26(36)30-28-21(8-7-9-25(28)35)12-23-14-38-41-44(23)17-22-10-11-37-29(18(2)3)31(22)45(33(24)39-30)34(47)40-32;1-6-27(46)43-14-20(5)44(15-19(43)4)32-24-13-26(36)30-28-22(8-7-9-25(28)35)16-42-17-23(40-41-42)12-21-10-11-37-29(18(2)3)31(21)45(33(24)38-30)34(47)39-32;1-6-27(46)43-14-20(5)44(15-19(43)4)32-24-13-26(36)30-28-21(8-7-9-25(28)35)12-23-17-42(41-40-23)16-22-10-11-37-29(18(2)3)31(22)45(33(24)38-30)34(47)39-32/h6-11,13-14,18-20H,1,12,15-17H2,2-5H3;6,14,18-22,24-26,28-33,37,39H,1,7-13,15-17H2,2-5H3,(H,40,47);6,17-22,24-26,28-33,37-38H,1,7-16H2,2-5H3,(H,39,47);6-11,13,17-20H,1,12,14-16H2,2-5H3
InChIKeyNZKYNJNTAYWISU-UHFFFAOYSA-N
XLogP14.18
TPSA451.18 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds12
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002591.10
LogP ≤ 514.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one?
The IUPAC name of 24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one (CID 165069168) is 24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one.
What is the SMILES notation for 24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one?
The canonical SMILES for 24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one is C=CC(=O)N1CC(C)N(C2NC(=O)N3C4NC(C(F)CC24)C2C(F)CCCC2Cc2cnnn2CC2CCNC(C(C)C)C23)CC1C.C=CC(=O)N1CC(C)N(C2NC(=O)N3C4NC(C(F)CC24)C2C(F)CCCC2Cn2cc(nn2)CC2CCNC(C(C)C)C23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2Cc2cn(nn2)Cc2ccnc(C(C)C)c2-3)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2Cn2nncc2Cc2ccnc(C(C)C)c2-3)CC1C.
What is the InChIKey of 24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one?
The InChIKey is NZKYNJNTAYWISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F2N9O2.2C34H53F2N9O2.C34H33F2N9O2/c1-6-27(46)42-15-20(5)43(16-19(42)4)32-24-13-26(36)30-28-22(8-7-9-25(28)35)17-44-23(14-38-41-44)12-21-10-11-37-29(18(2)3)31(21)45(33(24)39-30)34(47)40-32;1-6-27(46)42-15-20(5)43(16-19(42)4)32-24-13-26(36)30-28-21(8-7-9-25(28)35)12-23-14-38-41-44(23)17-22-10-11-37-29(18(2)3)31(22)45(33(24)39-30)34(47)40-32;1-6-27(46)43-14-20(5)44(15-19(43)4)32-24-13-26(36)30-28-22(8-7-9-25(28)35)16-42-17-23(40-41-42)12-21-10-11-37-29(18(2)3)31(21)45(33(24)38-30)34(47)39-32;1-6-27(46)43-14-20(5)44(15-19(43)4)32-24-13-26(36)30-28-21(8-7-9-25(28)35)12-23-17-42(41-40-23)16-22-10-11-37-29(18(2)3)31(22)45(33(24)38-30)34(47)39-32/h6-11,13-14,18-20H,1,12,15-17H2,2-5H3;6,14,18-22,24-26,28-33,37,39H,1,7-13,15-17H2,2-5H3,(H,40,47);6,17-22,24-26,28-33,37-38H,1,7-16H2,2-5H3,(H,39,47);6-11,13,17-20H,1,12,14-16H2,2-5H3.
What are the key properties of 24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one?
24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one has a molecular weight of 2591.10 g/mol, XLogP of 14.18, 12 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,10,11,12,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-9(29),10-dien-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,9,10,11,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-10,12-dien-27-one;24-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-18,21-difluoro-3-propan-2-yl-1,4,9,10,11,25,28-heptazahexacyclo[18.6.2.19,12.02,7.014,19.023,27]nonacosa-2(7),3,5,10,12(29),14(19),15,17,20,22,24,27-dodecaen-26-one;25-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-19,22-difluoro-3-propan-2-yl-1,4,11,12,13,26,29-heptazahexacyclo[19.6.2.02,7.09,13.015,20.024,28]nonacosa-2(7),3,5,9,11,15(20),16,18,21,23,25,28-dodecaen-27-one is sourced from PubChem (CID 165069168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).