N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide

C53H38F2N14O — CID 145244738

About N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide

N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 145244738) has the molecular formula C53H38F2N14O and a molecular weight of 924.98 g/mol. Its IUPAC name is N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide
• PubChem CID: 145244738
• Molecular Formula: C53H38F2N14O
• Molecular Weight: 924.98 g/mol
• Exact Mass: 924.33
• IUPAC Name: N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide
• SMILES: Cc1ccncc1-c1cc(-c2cc(-c3nccc4[nH]c(-c5n[nH]c6ccc(-c7cccc(NC(=O)C(C)(C)C)c7)nc56)nc34)ccc2F)c2[nH]nc(-c3nc4c(-c5ccc(F)cc5)nccc4[nH]3)c2n1
• InChI: InChI=1S/C53H38F2N14O/c1-26-16-19-56-25-34(26)40-24-33(43-47(61-40)49(69-67-43)51-63-37-17-20-57-41(44(37)64-51)27-8-11-30(54)12-9-27)32-23-29(10-13-35(32)55)42-45-38(18-21-58-42)62-50(65-45)48-46-39(66-68-48)15-14-36(60-46)28-6-5-7-31(22-28)59-52(70)53(2,3)4/h5-25H,1-4H3,(H,59,70)(H,62,65)(H,63,64)(H,66,68)(H,67,69)
• InChIKey: STJOUWHPSYCFPJ-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 208.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.98
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide (CID 145244738) is N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide is Cc1ccncc1-c1cc(-c2cc(-c3nccc4[nH]c(-c5n[nH]c6ccc(-c7cccc(NC(=O)C(C)(C)C)c7)nc56)nc34)ccc2F)c2[nH]nc(-c3nc4c(-c5ccc(F)cc5)nccc4[nH]3)c2n1.

What is the InChIKey of N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide?

The InChIKey is STJOUWHPSYCFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38F2N14O/c1-26-16-19-56-25-34(26)40-24-33(43-47(61-40)49(69-67-43)51-63-37-17-20-57-41(44(37)64-51)27-8-11-30(54)12-9-27)32-23-29(10-13-35(32)55)42-45-38(18-21-58-42)62-50(65-45)48-46-39(66-68-48)15-14-36(60-46)28-6-5-7-31(22-28)59-52(70)53(2,3)4/h5-25H,1-4H3,(H,59,70)(H,62,65)(H,63,64)(H,66,68)(H,67,69).

What are the key properties of N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide?

N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 924.98 g/mol, XLogP of 11.41, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 145244738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).