11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione

C127H121Cl4F4N23O19 — CID 167616750

IUPAC11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione
SMILESC=CC(=O)N1CC(C)N2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4c(F)c(-c5c(O)cccc5O)c(Cl)c(c34)NCC2C1.C=CC(=O)N1CC(C)N2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4c(F)c(-c5c(O)cccc5O)c(Cl)c(c34)OCC2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4c(F)c(-c5c(O)cccc5O)c(Cl)c(c34)N(C)C(=O)C2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4c(F)c(-c5c(O)cccc5O)c(Cl)c(c34)NC(=O)C2C1
InChIInChI=1S/C32H30ClFN6O5.C32H32ClFN6O4.C32H31ClFN5O5.C31H28ClFN6O5/c1-6-20(43)38-12-13-39-17(14-38)31(44)37(5)28-23-29(25(34)22(24(28)33)21-18(41)8-7-9-19(21)42)40(32(45)36-30(23)39)27-16(4)10-11-35-26(27)15(2)3;1-6-21(43)38-13-17(5)39-18(14-38)12-36-28-24-30(26(34)23(25(28)33)22-19(41)8-7-9-20(22)42)40(32(44)37-31(24)39)29-16(4)10-11-35-27(29)15(2)3;1-6-21(42)37-12-17(5)38-18(13-37)14-44-30-24-29(26(34)23(25(30)33)22-19(40)8-7-9-20(22)41)39(32(43)36-31(24)38)28-16(4)10-11-35-27(28)15(2)3;1-5-19(42)37-11-12-38-16(13-37)30(43)35-26-22-28(24(33)21(23(26)32)20-17(40)7-6-8-18(20)41)39(31(44)36-29(22)38)27-15(4)9-10-34-25(27)14(2)3/h6-11,15,17,41-42H,1,12-14H2,2-5H3;6-11,15,17-18,36,41-42H,1,12-14H2,2-5H3;6-11,15,17-18,40-41H,1,12-14H2,2-5H3;5-10,14,16,40-41H,1,11-13H2,2-4H3,(H,35,43)
InChIKeyLVUNMVDOCCXAPA-UHFFFAOYSA-N
MW2491.31 g/mol
LogP18.67
Rot. Bonds16

About 11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione

11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione (PubChem CID 167616750) has the molecular formula C127H121Cl4F4N23O19 and a molecular weight of 2491.31 g/mol. Its IUPAC name is 11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione.

Molecular Properties

Compound Name11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione
PubChem CID167616750
Molecular FormulaC127H121Cl4F4N23O19
Molecular Weight2491.31 g/mol
Exact Mass2487.79
IUPAC Name11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione
SMILESC=CC(=O)N1CC(C)N2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4c(F)c(-c5c(O)cccc5O)c(Cl)c(c34)NCC2C1.C=CC(=O)N1CC(C)N2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4c(F)c(-c5c(O)cccc5O)c(Cl)c(c34)OCC2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4c(F)c(-c5c(O)cccc5O)c(Cl)c(c34)N(C)C(=O)C2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4c(F)c(-c5c(O)cccc5O)c(Cl)c(c34)NC(=O)C2C1
InChIInChI=1S/C32H30ClFN6O5.C32H32ClFN6O4.C32H31ClFN5O5.C31H28ClFN6O5/c1-6-20(43)38-12-13-39-17(14-38)31(44)37(5)28-23-29(25(34)22(24(28)33)21-18(41)8-7-9-19(21)42)40(32(45)36-30(23)39)27-16(4)10-11-35-26(27)15(2)3;1-6-21(43)38-13-17(5)39-18(14-38)12-36-28-24-30(26(34)23(25(28)33)22-19(41)8-7-9-20(22)42)40(32(44)37-31(24)39)29-16(4)10-11-35-27(29)15(2)3;1-6-21(42)37-12-17(5)38-18(13-37)14-44-30-24-29(26(34)23(25(30)33)22-19(40)8-7-9-20(22)41)39(32(43)36-31(24)38)28-16(4)10-11-35-27(28)15(2)3;1-5-19(42)37-11-12-38-16(13-37)30(43)35-26-22-28(24(33)21(23(26)32)20-17(40)7-6-8-18(20)41)39(31(44)36-29(22)38)27-15(4)9-10-34-25(27)14(2)3/h6-11,15,17,41-42H,1,12-14H2,2-5H3;6-11,15,17-18,36,41-42H,1,12-14H2,2-5H3;6-11,15,17-18,40-41H,1,12-14H2,2-5H3;5-10,14,16,40-41H,1,11-13H2,2-4H3,(H,35,43)
InChIKeyLVUNMVDOCCXAPA-UHFFFAOYSA-N
XLogP18.67
TPSA517.83 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds16
Heavy Atoms177
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002491.31
LogP ≤ 518.67
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione?
The IUPAC name of 11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione (CID 167616750) is 11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione.
What is the SMILES notation for 11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione?
The canonical SMILES for 11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione is C=CC(=O)N1CC(C)N2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4c(F)c(-c5c(O)cccc5O)c(Cl)c(c34)NCC2C1.C=CC(=O)N1CC(C)N2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4c(F)c(-c5c(O)cccc5O)c(Cl)c(c34)OCC2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4c(F)c(-c5c(O)cccc5O)c(Cl)c(c34)N(C)C(=O)C2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4c(F)c(-c5c(O)cccc5O)c(Cl)c(c34)NC(=O)C2C1.
What is the InChIKey of 11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione?
The InChIKey is LVUNMVDOCCXAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClFN6O5.C32H32ClFN6O4.C32H31ClFN5O5.C31H28ClFN6O5/c1-6-20(43)38-12-13-39-17(14-38)31(44)37(5)28-23-29(25(34)22(24(28)33)21-18(41)8-7-9-19(21)42)40(32(45)36-30(23)39)27-16(4)10-11-35-26(27)15(2)3;1-6-21(43)38-13-17(5)39-18(14-38)12-36-28-24-30(26(34)23(25(28)33)22-19(41)8-7-9-20(22)42)40(32(44)37-31(24)39)29-16(4)10-11-35-27(29)15(2)3;1-6-21(42)37-12-17(5)38-18(13-37)14-44-30-24-29(26(34)23(25(30)33)22-19(40)8-7-9-20(22)41)39(32(43)36-31(24)38)28-16(4)10-11-35-27(28)15(2)3;1-5-19(42)37-11-12-38-16(13-37)30(43)35-26-22-28(24(33)21(23(26)32)20-17(40)7-6-8-18(20)41)39(31(44)36-29(22)38)27-15(4)9-10-34-25(27)14(2)3/h6-11,15,17,41-42H,1,12-14H2,2-5H3;6-11,15,17-18,36,41-42H,1,12-14H2,2-5H3;6-11,15,17-18,40-41H,1,12-14H2,2-5H3;5-10,14,16,40-41H,1,11-13H2,2-4H3,(H,35,43).
What are the key properties of 11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione?
11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione has a molecular weight of 2491.31 g/mol, XLogP of 18.67, 16 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-3-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione is sourced from PubChem (CID 167616750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).