N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide

C61H59F2N17O — CID 136619701

About N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide

N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 136619701) has the molecular formula C61H59F2N17O and a molecular weight of 1084.26 g/mol. Its IUPAC name is N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
• PubChem CID: 136619701
• Molecular Formula: C61H59F2N17O
• Molecular Weight: 1084.26 g/mol
• Exact Mass: 1083.51
• IUPAC Name: N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
• SMILES: Cc1ccncc1-c1ccc2c(c1)c(-c1nc3c(-c4cc(F)cc(NCCN(C)C)c4)cncc3[nH]1)nn2N(C)CCNc1cc(F)cc(-c2cncc3c2NC(c2[nH]nc4ccc(-c5cncc(NC(=O)C(C)(C)C)c5)cc24)N3)c1
• InChI: InChI=1S/C61H59F2N17O/c1-34-12-13-64-29-47(34)36-9-11-53-46(24-36)57(59-72-52-33-67-31-49(55(52)74-59)37-18-40(62)25-42(20-37)68-14-16-78(5)6)77-80(53)79(7)17-15-69-43-21-38(19-41(63)26-43)48-30-66-32-51-54(48)73-58(71-51)56-45-23-35(8-10-50(45)75-76-56)39-22-44(28-65-27-39)70-60(81)61(2,3)4/h8-13,18-33,58,68-69,71,73H,14-17H2,1-7H3,(H,70,81)(H,72,74)(H,75,76)
• InChIKey: KZEZFPLHKMCPQM-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 210.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1084.26
LogP ≤ 5	11.46
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-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (CID 136619701) is N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is Cc1ccncc1-c1ccc2c(c1)c(-c1nc3c(-c4cc(F)cc(NCCN(C)C)c4)cncc3[nH]1)nn2N(C)CCNc1cc(F)cc(-c2cncc3c2NC(c2[nH]nc4ccc(-c5cncc(NC(=O)C(C)(C)C)c5)cc24)N3)c1.

What is the InChIKey of N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

The InChIKey is KZEZFPLHKMCPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H59F2N17O/c1-34-12-13-64-29-47(34)36-9-11-53-46(24-36)57(59-72-52-33-67-31-49(55(52)74-59)37-18-40(62)25-42(20-37)68-14-16-78(5)6)77-80(53)79(7)17-15-69-43-21-38(19-41(63)26-43)48-30-66-32-51-54(48)73-58(71-51)56-45-23-35(8-10-50(45)75-76-56)39-22-44(28-65-27-39)70-60(81)61(2,3)4/h8-13,18-33,58,68-69,71,73H,14-17H2,1-7H3,(H,70,81)(H,72,74)(H,75,76).

What are the key properties of N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 1084.26 g/mol, XLogP of 11.46, 16 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-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 136619701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).