N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

C70H89Cl2FN10O9 — CID 167263915

About N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 167263915) has the molecular formula C70H89Cl2FN10O9 and a molecular weight of 1304.45 g/mol. Its IUPAC name is N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

• Compound Name: N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
• PubChem CID: 167263915
• Molecular Formula: C70H89Cl2FN10O9
• Molecular Weight: 1304.45 g/mol
• Exact Mass: 1302.62
• IUPAC Name: N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
• SMILES: C=C1/C=C(F)\C=C/CC(=O)N(C)Cc2nn(CCNC(=O)CCOCCOCCOCCOCCN3CCN(C(=O)N4C(c5ccc(C(C)(C)C)cc5OCC)=C[C@@](C)(c5ccc(Cl)cc5)[C@H]4c4ccc(Cl)cc4)CC3)c(OC)c2-c2cnc(N)c(c2)N2CCC[C@H]12
• InChI: InChI=1S/C70H89Cl2FN10O9/c1-9-92-61-44-52(69(3,4)5)19-24-56(61)60-45-70(6,51-17-22-54(72)23-18-51)65(49-15-20-53(71)21-16-49)83(60)68(86)80-31-29-79(30-32-80)33-35-89-37-39-91-41-40-90-38-36-88-34-25-62(84)75-26-28-82-67(87-8)64-50-43-59(66(74)76-46-50)81-27-11-13-58(81)48(2)42-55(73)12-10-14-63(85)78(7)47-57(64)77-82/h10,12,15-24,42-46,58,65H,2,9,11,13-14,25-41,47H2,1,3-8H3,(H2,74,76)(H,75,84)/b12-10-,55-42+/t58-,65-,70+/m1/s1
• InChIKey: FPOGJARFVTWCBM-MNVWTTQZSA-N
• XLogP: 11.20
• TPSA: 191.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1304.45
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?

The IUPAC name of N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (CID 167263915) is N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.

What is the SMILES notation for N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?

The canonical SMILES for N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is C=C1/C=C(F)\C=C/CC(=O)N(C)Cc2nn(CCNC(=O)CCOCCOCCOCCOCCN3CCN(C(=O)N4C(c5ccc(C(C)(C)C)cc5OCC)=C[C@@](C)(c5ccc(Cl)cc5)[C@H]4c4ccc(Cl)cc4)CC3)c(OC)c2-c2cnc(N)c(c2)N2CCC[C@H]12.

What is the InChIKey of N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?

The InChIKey is FPOGJARFVTWCBM-MNVWTTQZSA-N. The full InChI is InChI=1S/C70H89Cl2FN10O9/c1-9-92-61-44-52(69(3,4)5)19-24-56(61)60-45-70(6,51-17-22-54(72)23-18-51)65(49-15-20-53(71)21-16-49)83(60)68(86)80-31-29-79(30-32-80)33-35-89-37-39-91-41-40-90-38-36-88-34-25-62(84)75-26-28-82-67(87-8)64-50-43-59(66(74)76-46-50)81-27-11-13-58(81)48(2)42-55(73)12-10-14-63(85)78(7)47-57(64)77-82/h10,12,15-24,42-46,58,65H,2,9,11,13-14,25-41,47H2,1,3-8H3,(H2,74,76)(H,75,84)/b12-10-,55-42+/t58-,65-,70+/m1/s1.

What are the key properties of N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?

N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 1304.45 g/mol, XLogP of 11.20, 24 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(6R,8E,10Z)-24-amino-9-fluoro-19-methoxy-14-methyl-7-methylidene-13-oxo-2,14,17,18,23-pentazatetracyclo[19.3.1.02,6.016,20]pentacosa-1(24),8,10,16,19,21(25),22-heptaen-18-yl]ethyl]-3-[2-[2-[2-[2-[4-[(2R,3S)-5-(4-tert-butyl-2-ethoxyphenyl)-2,3-bis(4-chlorophenyl)-3-methyl-2H-pyrrole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 167263915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).