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

C53H41F2N15O — CID 145248790

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

N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 145248790) has the molecular formula C53H41F2N15O and a molecular weight of 942.01 g/mol. Its IUPAC name is N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
• PubChem CID: 145248790
• Molecular Formula: C53H41F2N15O
• Molecular Weight: 942.01 g/mol
• Exact Mass: 941.36
• IUPAC Name: N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
• SMILES: C=N/C=C(C(\C)=C/C)/c1cc(-c2cc(-c3cncc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)C(C)(C)C)c7)nc56)nc34)ccc2F)c2[nH]nc(-c3nc4c(-c5ccc(F)cc5)cncc4[nH]3)c2n1
• InChI: InChI=1S/C53H41F2N15O/c1-7-26(2)34(21-56-6)40-18-33(45-47(62-40)49(70-68-45)51-64-41-24-58-22-35(43(41)65-51)27-8-11-30(54)12-9-27)32-17-28(10-13-37(32)55)36-23-59-25-42-44(36)66-50(63-42)48-46-39(67-69-48)15-14-38(61-46)29-16-31(20-57-19-29)60-52(71)53(3,4)5/h7-25H,6H2,1-5H3,(H,60,71)(H,63,66)(H,64,65)(H,67,69)(H,68,70)/b26-7-,34-21+
• InChIKey: AZOOULDDBCXGDV-KXRMUBQNSA-N
• XLogP: 11.44
• TPSA: 220.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	942.01
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (CID 145248790) is N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

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

The canonical SMILES for N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is C=N/C=C(C(\C)=C/C)/c1cc(-c2cc(-c3cncc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)C(C)(C)C)c7)nc56)nc34)ccc2F)c2[nH]nc(-c3nc4c(-c5ccc(F)cc5)cncc4[nH]3)c2n1.

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

The InChIKey is AZOOULDDBCXGDV-KXRMUBQNSA-N. The full InChI is InChI=1S/C53H41F2N15O/c1-7-26(2)34(21-56-6)40-18-33(45-47(62-40)49(70-68-45)51-64-41-24-58-22-35(43(41)65-51)27-8-11-30(54)12-9-27)32-17-28(10-13-37(32)55)36-23-59-25-42-44(36)66-50(63-42)48-46-39(67-69-48)15-14-38(61-46)29-16-31(20-57-19-29)60-52(71)53(3,4)5/h7-25H,6H2,1-5H3,(H,60,71)(H,63,66)(H,64,65)(H,67,69)(H,68,70)/b26-7-,34-21+.

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

N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 942.01 g/mol, XLogP of 11.44, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 145248790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).