15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione

C102H110Cl6N22O7 — CID 167667229

About 15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione

15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione (PubChem CID 167667229) has the molecular formula C102H110Cl6N22O7 and a molecular weight of 1968.87 g/mol. Its IUPAC name is 15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione.

Molecular Properties

• Compound Name: 15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione
• PubChem CID: 167667229
• Molecular Formula: C102H110Cl6N22O7
• Molecular Weight: 1968.87 g/mol
• Exact Mass: 1964.71
• IUPAC Name: 15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione
• SMILES: C=CC(=O)N1CC2C(=O)Nc3c(c4cc(Cl)c(-c5cc(N)ccc5Cl)nc4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CN(C)c3c(c4cc(Cl)c(-c5cc(N)ccc5Cl)nc4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CN(CCCN(C)C)c3c(c4cc(Cl)c(-c5cc(N)ccc5Cl)nc4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C
• InChI: InChI=1S/C37H44Cl2N8O2.C33H35Cl2N7O2.C32H31Cl2N7O3/c1-8-30(48)45-20-25-19-44(15-9-14-43(6)7)35-34(46(25)18-23(45)5)27-17-29(39)32(26-16-24(40)10-11-28(26)38)42-36(27)47(37(35)49)33-22(4)12-13-41-31(33)21(2)3;1-7-26(43)40-16-21-15-39(6)31-30(41(21)14-19(40)5)23-13-25(35)28(22-12-20(36)8-9-24(22)34)38-32(23)42(33(31)44)29-18(4)10-11-37-27(29)17(2)3;1-6-24(42)39-14-23-31(43)38-27-29(40(23)13-17(39)5)20-12-22(34)26(19-11-18(35)7-8-21(19)33)37-30(20)41(32(27)44)28-16(4)9-10-36-25(28)15(2)3/h8,10-13,16-17,21,23,25H,1,9,14-15,18-20,40H2,2-7H3;7-13,17,19,21H,1,14-16,36H2,2-6H3;6-12,15,17,23H,1,13-14,35H2,2-5H3,(H,38,43)
• InChIKey: SUUFAZUMGHGIBE-UHFFFAOYSA-N
• XLogP: 17.25
• TPSA: 330.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1968.87
LogP ≤ 5	17.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione?

The IUPAC name of 15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione (CID 167667229) is 15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione.

What is the SMILES notation for 15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione?

The canonical SMILES for 15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione is C=CC(=O)N1CC2C(=O)Nc3c(c4cc(Cl)c(-c5cc(N)ccc5Cl)nc4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CN(C)c3c(c4cc(Cl)c(-c5cc(N)ccc5Cl)nc4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CN(CCCN(C)C)c3c(c4cc(Cl)c(-c5cc(N)ccc5Cl)nc4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.

What is the InChIKey of 15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione?

The InChIKey is SUUFAZUMGHGIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44Cl2N8O2.C33H35Cl2N7O2.C32H31Cl2N7O3/c1-8-30(48)45-20-25-19-44(15-9-14-43(6)7)35-34(46(25)18-23(45)5)27-17-29(39)32(26-16-24(40)10-11-28(26)38)42-36(27)47(37(35)49)33-22(4)12-13-41-31(33)21(2)3;1-7-26(43)40-16-21-15-39(6)31-30(41(21)14-19(40)5)23-13-25(35)28(22-12-20(36)8-9-24(22)34)38-32(23)42(33(31)44)29-18(4)10-11-37-27(29)17(2)3;1-6-24(42)39-14-23-31(43)38-27-29(40(23)13-17(39)5)20-12-22(34)26(19-11-18(35)7-8-21(19)33)37-30(20)41(32(27)44)28-16(4)9-10-36-25(28)15(2)3/h8,10-13,16-17,21,23,25H,1,9,14-15,18-20,40H2,2-7H3;7-13,17,19,21H,1,14-16,36H2,2-6H3;6-12,15,17,23H,1,13-14,35H2,2-5H3,(H,38,43).

What are the key properties of 15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione?

15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione has a molecular weight of 1968.87 g/mol, XLogP of 17.25, 16 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(5-amino-2-chlorophenyl)-16-chloro-9-[3-(dimethylamino)propyl]-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;15-(5-amino-2-chlorophenyl)-16-chloro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione is sourced from PubChem (CID 167667229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).