15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione

C123H112F8N28O12 — CID 165081389

IUPAC15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione
SMILESC=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2NC(=O)Cc2ccnc(C(C)C)c2-3)CC1.C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2NC(=O)Cc2ccnc(C(C)C)c2-3)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2NC(=O)Cc2ccnc(C(C)C)c2-3)[C@@H]2C[C@@H]21.C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2NC(=O)Cc2ccnc(C(C)C)c2-3)[C@H](C)C1
InChIInChI=1S/C31H27F2N7O3.2C31H29F2N7O3.C30H27F2N7O3/c1-4-24(42)38-10-11-39(22-14-21(22)38)29-17-13-19(33)27-25-18(32)6-5-7-20(25)35-23(41)12-16-8-9-34-26(15(2)3)28(16)40(30(17)36-27)31(43)37-29;2*1-5-24(42)38-11-12-39(17(4)15-38)29-19-14-21(33)27-25-20(32)7-6-8-22(25)35-23(41)13-18-9-10-34-26(16(2)3)28(18)40(30(19)36-27)31(43)37-29;1-4-23(41)37-10-12-38(13-11-37)28-18-15-20(32)26-24-19(31)6-5-7-21(24)34-22(40)14-17-8-9-33-25(16(2)3)27(17)39(29(18)35-26)30(42)36-28/h4-9,13,15,21-22H,1,10-12,14H2,2-3H3,(H,35,41);2*5-10,14,16-17H,1,11-13,15H2,2-4H3,(H,35,41);4-9,15-16H,1,10-14H2,2-3H3,(H,34,40)/t21-,22+;2*17-;/m010./s1
InChIKeyVEKPBLHDHPTKGC-IEYBZOIISA-N
MW2326.42 g/mol
LogP15.21
Rot. Bonds12

About 15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione

15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione (PubChem CID 165081389) has the molecular formula C123H112F8N28O12 and a molecular weight of 2326.42 g/mol. Its IUPAC name is 15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione.

Molecular Properties

Compound Name15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione
PubChem CID165081389
Molecular FormulaC123H112F8N28O12
Molecular Weight2326.42 g/mol
Exact Mass2324.89
IUPAC Name15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione
SMILESC=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2NC(=O)Cc2ccnc(C(C)C)c2-3)CC1.C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2NC(=O)Cc2ccnc(C(C)C)c2-3)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2NC(=O)Cc2ccnc(C(C)C)c2-3)[C@@H]2C[C@@H]21.C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2NC(=O)Cc2ccnc(C(C)C)c2-3)[C@H](C)C1
InChIInChI=1S/C31H27F2N7O3.2C31H29F2N7O3.C30H27F2N7O3/c1-4-24(42)38-10-11-39(22-14-21(22)38)29-17-13-19(33)27-25-18(32)6-5-7-20(25)35-23(41)12-16-8-9-34-26(15(2)3)28(16)40(30(17)36-27)31(43)37-29;2*1-5-24(42)38-11-12-39(17(4)15-38)29-19-14-21(33)27-25-20(32)7-6-8-22(25)35-23(41)13-18-9-10-34-26(16(2)3)28(18)40(30(19)36-27)31(43)37-29;1-4-23(41)37-10-12-38(13-11-37)28-18-15-20(32)26-24-19(31)6-5-7-21(24)34-22(40)14-17-8-9-33-25(16(2)3)27(17)39(29(18)35-26)30(42)36-28/h4-9,13,15,21-22H,1,10-12,14H2,2-3H3,(H,35,41);2*5-10,14,16-17H,1,11-13,15H2,2-4H3,(H,35,41);4-9,15-16H,1,10-14H2,2-3H3,(H,34,40)/t21-,22+;2*17-;/m010./s1
InChIKeyVEKPBLHDHPTKGC-IEYBZOIISA-N
XLogP15.21
TPSA453.28 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds12
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002326.42
LogP ≤ 515.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione?
The IUPAC name of 15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione (CID 165081389) is 15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione.
What is the SMILES notation for 15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione?
The canonical SMILES for 15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione is C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2NC(=O)Cc2ccnc(C(C)C)c2-3)CC1.C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2NC(=O)Cc2ccnc(C(C)C)c2-3)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2NC(=O)Cc2ccnc(C(C)C)c2-3)[C@@H]2C[C@@H]21.C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2NC(=O)Cc2ccnc(C(C)C)c2-3)[C@H](C)C1.
What is the InChIKey of 15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione?
The InChIKey is VEKPBLHDHPTKGC-IEYBZOIISA-N. The full InChI is InChI=1S/C31H27F2N7O3.2C31H29F2N7O3.C30H27F2N7O3/c1-4-24(42)38-10-11-39(22-14-21(22)38)29-17-13-19(33)27-25-18(32)6-5-7-20(25)35-23(41)12-16-8-9-34-26(15(2)3)28(16)40(30(17)36-27)31(43)37-29;2*1-5-24(42)38-11-12-39(17(4)15-38)29-19-14-21(33)27-25-20(32)7-6-8-22(25)35-23(41)13-18-9-10-34-26(16(2)3)28(18)40(30(19)36-27)31(43)37-29;1-4-23(41)37-10-12-38(13-11-37)28-18-15-20(32)26-24-19(31)6-5-7-21(24)34-22(40)14-17-8-9-33-25(16(2)3)27(17)39(29(18)35-26)30(42)36-28/h4-9,13,15,21-22H,1,10-12,14H2,2-3H3,(H,35,41);2*5-10,14,16-17H,1,11-13,15H2,2-4H3,(H,35,41);4-9,15-16H,1,10-14H2,2-3H3,(H,34,40)/t21-,22+;2*17-;/m010./s1.
What are the key properties of 15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione?
15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione has a molecular weight of 2326.42 g/mol, XLogP of 15.21, 12 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 15,18-difluoro-21-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-21-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-[(1R,6S)-5-prop-2-enoyl-2,5-diazabicyclo[4.1.0]heptan-2-yl]-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione;15,18-difluoro-3-propan-2-yl-21-(4-prop-2-enoylpiperazin-1-yl)-1,4,10,22,25-pentazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaene-9,23-dione is sourced from PubChem (CID 165081389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).