12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one

C128H121ClF6N22O16 — CID 167706677

IUPAC12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one
SMILESC=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)cccc4C(C)C)c4nc(-c5c(O)cccc5F)c(F)c(c34)OCCC2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5cc(O)cc6ccccc56)c(F)c(c34)OCCC2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4ccccc4C(C)C)c4nc(-c5c(O)cccc5F)c(F)c(c34)OCCC2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4cccnc4C(C)C)c4nc(-c5c(O)cccc5F)c(Cl)c(c34)OCCC2C1
InChIInChI=1S/C35H33FN6O4.C32H31F2N5O4.C31H29F2N5O4.C30H28ClFN6O4/c1-5-26(44)40-13-14-41-22(18-40)11-15-46-32-27-33(41)39-35(45)42(31-20(4)10-12-37-29(31)19(2)3)34(27)38-30(28(32)36)25-17-23(43)16-21-8-6-7-9-24(21)25;1-5-23(41)37-13-14-38-19(16-37)12-15-43-29-25-30(38)36-32(42)39(28-18(4)8-6-9-20(28)17(2)3)31(25)35-27(26(29)34)24-21(33)10-7-11-22(24)40;1-4-23(40)36-13-14-37-18(16-36)12-15-42-28-25-29(37)35-31(41)38(21-10-6-5-8-19(21)17(2)3)30(25)34-27(26(28)33)24-20(32)9-7-11-22(24)39;1-4-21(40)36-12-13-37-17(15-36)10-14-42-27-23-28(37)35-30(41)38(19-8-6-11-33-25(19)16(2)3)29(23)34-26(24(27)31)22-18(32)7-5-9-20(22)39/h5-10,12,16-17,19,22,43H,1,11,13-15,18H2,2-4H3;5-11,17,19,40H,1,12-16H2,2-4H3;4-11,17-18,39H,1,12-16H2,2-3H3;4-9,11,16-17,39H,1,10,12-15H2,2-3H3
InChIKeyZEUIIBASBXTARY-UHFFFAOYSA-N
MW2372.95 g/mol
LogP19.10
Rot. Bonds16

About 12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one

12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one (PubChem CID 167706677) has the molecular formula C128H121ClF6N22O16 and a molecular weight of 2372.95 g/mol. Its IUPAC name is 12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one.

Molecular Properties

Compound Name12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one
PubChem CID167706677
Molecular FormulaC128H121ClF6N22O16
Molecular Weight2372.95 g/mol
Exact Mass2370.89
IUPAC Name12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one
SMILESC=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)cccc4C(C)C)c4nc(-c5c(O)cccc5F)c(F)c(c34)OCCC2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5cc(O)cc6ccccc56)c(F)c(c34)OCCC2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4ccccc4C(C)C)c4nc(-c5c(O)cccc5F)c(F)c(c34)OCCC2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4cccnc4C(C)C)c4nc(-c5c(O)cccc5F)c(Cl)c(c34)OCCC2C1
InChIInChI=1S/C35H33FN6O4.C32H31F2N5O4.C31H29F2N5O4.C30H28ClFN6O4/c1-5-26(44)40-13-14-41-22(18-40)11-15-46-32-27-33(41)39-35(45)42(31-20(4)10-12-37-29(31)19(2)3)34(27)38-30(28(32)36)25-17-23(43)16-21-8-6-7-9-24(21)25;1-5-23(41)37-13-14-38-19(16-37)12-15-43-29-25-30(38)36-32(42)39(28-18(4)8-6-9-20(28)17(2)3)31(25)35-27(26(29)34)24-21(33)10-7-11-22(24)40;1-4-23(40)36-13-14-37-18(16-36)12-15-42-28-25-29(37)35-31(41)38(21-10-6-5-8-19(21)17(2)3)30(25)34-27(26(28)33)24-20(32)9-7-11-22(24)39;1-4-21(40)36-12-13-37-17(15-36)10-14-42-27-23-28(37)35-30(41)38(19-8-6-11-33-25(19)16(2)3)29(23)34-26(24(27)31)22-18(32)7-5-9-20(22)39/h5-10,12,16-17,19,22,43H,1,11,13-15,18H2,2-4H3;5-11,17,19,40H,1,12-16H2,2-4H3;4-11,17-18,39H,1,12-16H2,2-3H3;4-9,11,16-17,39H,1,10,12-15H2,2-3H3
InChIKeyZEUIIBASBXTARY-UHFFFAOYSA-N
XLogP19.10
TPSA428.94 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds16
Heavy Atoms173
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002372.95
LogP ≤ 519.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-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 12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one?
The IUPAC name of 12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one (CID 167706677) is 12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one.
What is the SMILES notation for 12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one?
The canonical SMILES for 12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one is C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)cccc4C(C)C)c4nc(-c5c(O)cccc5F)c(F)c(c34)OCCC2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5cc(O)cc6ccccc56)c(F)c(c34)OCCC2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4ccccc4C(C)C)c4nc(-c5c(O)cccc5F)c(F)c(c34)OCCC2C1.C=CC(=O)N1CCN2c3nc(=O)n(-c4cccnc4C(C)C)c4nc(-c5c(O)cccc5F)c(Cl)c(c34)OCCC2C1.
What is the InChIKey of 12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one?
The InChIKey is ZEUIIBASBXTARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN6O4.C32H31F2N5O4.C31H29F2N5O4.C30H28ClFN6O4/c1-5-26(44)40-13-14-41-22(18-40)11-15-46-32-27-33(41)39-35(45)42(31-20(4)10-12-37-29(31)19(2)3)34(27)38-30(28(32)36)25-17-23(43)16-21-8-6-7-9-24(21)25;1-5-23(41)37-13-14-38-19(16-37)12-15-43-29-25-30(38)36-32(42)39(28-18(4)8-6-9-20(28)17(2)3)31(25)35-27(26(29)34)24-21(33)10-7-11-22(24)40;1-4-23(40)36-13-14-37-18(16-36)12-15-42-28-25-29(37)35-31(41)38(21-10-6-5-8-19(21)17(2)3)30(25)34-27(26(28)33)24-20(32)9-7-11-22(24)39;1-4-21(40)36-12-13-37-17(15-36)10-14-42-27-23-28(37)35-30(41)38(19-8-6-11-33-25(19)16(2)3)29(23)34-26(24(27)31)22-18(32)7-5-9-20(22)39/h5-10,12,16-17,19,22,43H,1,11,13-15,18H2,2-4H3;5-11,17,19,40H,1,12-16H2,2-4H3;4-11,17-18,39H,1,12-16H2,2-3H3;4-9,11,16-17,39H,1,10,12-15H2,2-3H3.
What are the key properties of 12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one?
12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one has a molecular weight of 2372.95 g/mol, XLogP of 19.10, 16 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chloro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-methyl-6-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(2-fluoro-6-hydroxyphenyl)-16-(2-propan-2-ylphenyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-fluoro-13-(3-hydroxynaphthalen-1-yl)-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one is sourced from PubChem (CID 167706677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).