16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one

C114H115Cl4FN22O13 — CID 167542211

About 16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one

16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one (PubChem CID 167542211) has the molecular formula C114H115Cl4FN22O13 and a molecular weight of 2162.12 g/mol. Its IUPAC name is 16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one.

Molecular Properties

• Compound Name: 16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one
• PubChem CID: 167542211
• Molecular Formula: C114H115Cl4FN22O13
• Molecular Weight: 2162.12 g/mol
• Exact Mass: 2158.78
• IUPAC Name: 16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one
• SMILES: C=CC(=O)N1CC2COc3c(c4cc(Cl)c(-c5c(C)ccc6n[nH]c(C7CC7)c56)nc4[nH]c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(Cl)c(-c5c(C)ccc6n[nH]c(C7CC7)c56)nc4n(C(CC)CC)c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(Cl)c(-c5c(C)ccc6n[nH]c(C7CC7)c56)nc4n(C)c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(Cl)c(-c5c(O)cccc5F)nc4n(C)c3=O)N2CC1C
• InChI: InChI=1S/C33H37ClN6O3.C29H29ClN6O3.C28H27ClN6O3.C24H22ClFN4O4/c1-6-20(7-2)40-32-22(30-31(33(40)42)43-16-21-15-38(25(41)8-3)18(5)14-39(21)30)13-23(34)29(35-32)26-17(4)9-12-24-27(26)28(37-36-24)19-10-11-19;1-5-21(37)35-12-17-13-39-27-26(36(17)11-15(35)3)18-10-19(30)25(31-28(18)34(4)29(27)38)22-14(2)6-9-20-23(22)24(33-32-20)16-7-8-16;1-4-20(36)34-11-16-12-38-26-25(35(16)10-14(34)3)17-9-18(29)24(30-27(17)31-28(26)37)21-13(2)5-8-19-22(21)23(33-32-19)15-6-7-15;1-4-18(32)29-10-13-11-34-22-21(30(13)9-12(29)2)14-8-15(25)20(27-23(14)28(3)24(22)33)19-16(26)6-5-7-17(19)31/h8-9,12-13,18-21H,3,6-7,10-11,14-16H2,1-2,4-5H3,(H,36,37);5-6,9-10,15-17H,1,7-8,11-13H2,2-4H3,(H,32,33);4-5,8-9,14-16H,1,6-7,10-12H2,2-3H3,(H,32,33)(H,30,31,37);4-8,12-13,31H,1,9-11H2,2-3H3
• InChIKey: BINHLNXLEOEZRJ-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 387.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2162.12
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one?

The IUPAC name of 16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one (CID 167542211) is 16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one.

What is the SMILES notation for 16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one?

The canonical SMILES for 16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one is C=CC(=O)N1CC2COc3c(c4cc(Cl)c(-c5c(C)ccc6n[nH]c(C7CC7)c56)nc4[nH]c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(Cl)c(-c5c(C)ccc6n[nH]c(C7CC7)c56)nc4n(C(CC)CC)c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(Cl)c(-c5c(C)ccc6n[nH]c(C7CC7)c56)nc4n(C)c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(Cl)c(-c5c(O)cccc5F)nc4n(C)c3=O)N2CC1C.

What is the InChIKey of 16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one?

The InChIKey is BINHLNXLEOEZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClN6O3.C29H29ClN6O3.C28H27ClN6O3.C24H22ClFN4O4/c1-6-20(7-2)40-32-22(30-31(33(40)42)43-16-21-15-38(25(41)8-3)18(5)14-39(21)30)13-23(34)29(35-32)26-17(4)9-12-24-27(26)28(37-36-24)19-10-11-19;1-5-21(37)35-12-17-13-39-27-26(36(17)11-15(35)3)18-10-19(30)25(31-28(18)34(4)29(27)38)22-14(2)6-9-20-23(22)24(33-32-20)16-7-8-16;1-4-20(36)34-11-16-12-38-26-25(35(16)10-14(34)3)17-9-18(29)24(30-27(17)31-28(26)37)21-13(2)5-8-19-22(21)23(33-32-19)15-6-7-15;1-4-18(32)29-10-13-11-34-22-21(30(13)9-12(29)2)14-8-15(25)20(27-23(14)28(3)24(22)33)19-16(26)6-5-7-17(19)31/h8-9,12-13,18-21H,3,6-7,10-11,14-16H2,1-2,4-5H3,(H,36,37);5-6,9-10,15-17H,1,7-8,11-13H2,2-4H3,(H,32,33);4-5,8-9,14-16H,1,6-7,10-12H2,2-3H3,(H,32,33)(H,30,31,37);4-8,12-13,31H,1,9-11H2,2-3H3.

What are the key properties of 16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one?

16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one has a molecular weight of 2162.12 g/mol, XLogP of 17.80, 14 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-12-pentan-3-yl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-15-(2-fluoro-6-hydroxyphenyl)-4,12-dimethyl-5-prop-2-enoyl-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one is sourced from PubChem (CID 167542211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).