N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
C65H64F2N18O2 — CID 154939096
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)Cn7nc(-c8nc9c(-c%10cc(F)cc(NCCN(C)C)c%10)cncc9[nH]8)c8cc(-c9cncc(NC(=O)CCC)c9)ccc87)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C65H64F2N18O2/c1-6-8-10-59(87)75-49-23-42(29-68-32-49)38-11-13-54-50(25-38)62(81-80-54)64-76-55-35-70-33-52(60(55)78-64)41-20-45(67)28-47(22-41)73-16-18-84(5)37-85-57-14-12-39(43-24-48(31-69-30-43)74-58(86)9-7-2)26-51(57)63(82-85)65-77-56-36-71-34-53(61(56)79-65)40-19-44(66)27-46(21-40)72-15-17-83(3)4/h11-14,19-36,72-73H,6-10,15-18,37H2,1-5H3,(H,74,86)(H,75,87)(H,76,78)(H,77,79)(H,80,81)
InChIKeyZLYXHCDFMAQFHR-UHFFFAOYSA-N
MW1167.35 g/mol
LogP12.37
Rot. Bonds23
About N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 154939096) has the molecular formula C65H64F2N18O2 and a molecular weight of 1167.35 g/mol. Its IUPAC name is N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.
Molecular Properties
| Compound Name | N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide |
|---|---|
| PubChem CID | 154939096 |
| Molecular Formula | C65H64F2N18O2 |
| Molecular Weight | 1167.35 g/mol |
| Exact Mass | 1166.54 |
| IUPAC Name | N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide |
| SMILES | CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)Cn7nc(-c8nc9c(-c%10cc(F)cc(NCCN(C)C)c%10)cncc9[nH]8)c8cc(-c9cncc(NC(=O)CCC)c9)ccc87)c6)cncc5[nH]4)c3c2)c1 |
| InChI | InChI=1S/C65H64F2N18O2/c1-6-8-10-59(87)75-49-23-42(29-68-32-49)38-11-13-54-50(25-38)62(81-80-54)64-76-55-35-70-33-52(60(55)78-64)41-20-45(67)28-47(22-41)73-16-18-84(5)37-85-57-14-12-39(43-24-48(31-69-30-43)74-58(86)9-7-2)26-51(57)63(82-85)65-77-56-36-71-34-53(61(56)79-65)40-19-44(66)27-46(21-40)72-15-17-83(3)4/h11-14,19-36,72-73H,6-10,15-18,37H2,1-5H3,(H,74,86)(H,75,87)(H,76,78)(H,77,79)(H,80,81) |
| InChIKey | ZLYXHCDFMAQFHR-UHFFFAOYSA-N |
| XLogP | 12.37 |
| TPSA | 244.16 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 87 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1167.35 |
| LogP ≤ 5 | 12.37 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 15 |
Frequently Asked Questions
What is the IUPAC name of N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The IUPAC name of N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (CID 154939096) is N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The canonical SMILES for N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)Cn7nc(-c8nc9c(-c%10cc(F)cc(NCCN(C)C)c%10)cncc9[nH]8)c8cc(-c9cncc(NC(=O)CCC)c9)ccc87)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The InChIKey is ZLYXHCDFMAQFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H64F2N18O2/c1-6-8-10-59(87)75-49-23-42(29-68-32-49)38-11-13-54-50(25-38)62(81-80-54)64-76-55-35-70-33-52(60(55)78-64)41-20-45(67)28-47(22-41)73-16-18-84(5)37-85-57-14-12-39(43-24-48(31-69-30-43)74-58(86)9-7-2)26-51(57)63(82-85)65-77-56-36-71-34-53(61(56)79-65)40-19-44(66)27-46(21-40)72-15-17-83(3)4/h11-14,19-36,72-73H,6-10,15-18,37H2,1-5H3,(H,74,86)(H,75,87)(H,76,78)(H,77,79)(H,80,81).
What are the key properties of N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 1167.35 g/mol, XLogP of 12.37, 23 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 154939096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 154939096 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.