N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide

C52H43F2N17O — CID 145036562

About N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide

N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 145036562) has the molecular formula C52H43F2N17O and a molecular weight of 960.03 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
• PubChem CID: 145036562
• Molecular Formula: C52H43F2N17O
• Molecular Weight: 960.03 g/mol
• Exact Mass: 959.38
• IUPAC Name: N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
• SMILES: Cc1cn(-c2ccnc3nc(-c4[nH]nc5c(Cc6cn(C7=CC=CNc8nc(-c9nn(C)c%10ccc(-c%11cncc(NC(=O)C(C)(C)C)c%11)c(F)c9%10)[nH]c87)cn6)cc(-c6cnccc6C)c(F)c45)[nH]c23)cn1
• InChI: InChI=1S/C52H43F2N17O/c1-26-11-14-55-21-34(26)33-18-28(42-39(41(33)54)45(67-66-42)49-62-44-37(12-15-58-48(44)64-49)70-22-27(2)59-24-70)16-31-23-71(25-60-31)36-8-7-13-57-47-43(36)63-50(65-47)46-38-35(69(6)68-46)10-9-32(40(38)53)29-17-30(20-56-19-29)61-51(72)52(3,4)5/h7-15,17-25,57H,16H2,1-6H3,(H,61,72)(H,63,65)(H,66,67)(H,58,62,64)
• InChIKey: BWUCCTYXVVAKTF-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 219.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	960.03
LogP ≤ 5	9.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (CID 145036562) is N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is Cc1cn(-c2ccnc3nc(-c4[nH]nc5c(Cc6cn(C7=CC=CNc8nc(-c9nn(C)c%10ccc(-c%11cncc(NC(=O)C(C)(C)C)c%11)c(F)c9%10)[nH]c87)cn6)cc(-c6cnccc6C)c(F)c45)[nH]c23)cn1.

What is the InChIKey of N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

The InChIKey is BWUCCTYXVVAKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43F2N17O/c1-26-11-14-55-21-34(26)33-18-28(42-39(41(33)54)45(67-66-42)49-62-44-37(12-15-58-48(44)64-49)70-22-27(2)59-24-70)16-31-23-71(25-60-31)36-8-7-13-57-47-43(36)63-50(65-47)46-38-35(69(6)68-46)10-9-32(40(38)53)29-17-30(20-56-19-29)61-51(72)52(3,4)5/h7-15,17-25,57H,16H2,1-6H3,(H,61,72)(H,63,65)(H,66,67)(H,58,62,64).

What are the key properties of N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 960.03 g/mol, XLogP of 9.58, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 145036562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).