N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

C55H42F2N14O — CID 145034461

About N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 145034461) has the molecular formula C55H42F2N14O and a molecular weight of 953.03 g/mol. Its IUPAC name is N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
• PubChem CID: 145034461
• Molecular Formula: C55H42F2N14O
• Molecular Weight: 953.03 g/mol
• Exact Mass: 952.36
• IUPAC Name: N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
• SMILES: CCNCc1cncc(-c2cc(-c3cc(-c4nccc5[nH]c(-c6n[nH]c7ccc(-c8cncc(NC(=O)C(C)C)c8)cc67)nc45)ccc3F)c3[nH]nc(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C55H42F2N14O/c1-4-58-23-29-17-34(25-59-24-29)33-21-39(48-41(22-33)50(71-69-48)54-65-44-13-15-61-46(51(44)66-54)30-5-9-36(56)10-6-30)38-20-32(7-11-42(38)57)47-52-45(14-16-62-47)64-53(67-52)49-40-19-31(8-12-43(40)68-70-49)35-18-37(27-60-26-35)63-55(72)28(2)3/h5-22,24-28,58H,4,23H2,1-3H3,(H,63,72)(H,64,67)(H,65,66)(H,68,70)(H,69,71)
• InChIKey: LUXVUDUKHJNQDP-UHFFFAOYSA-N
• XLogP: 11.42
• TPSA: 207.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	953.03
LogP ≤ 5	11.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?

The IUPAC name of N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 145034461) is N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

What is the SMILES notation for N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?

The canonical SMILES for N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is CCNCc1cncc(-c2cc(-c3cc(-c4nccc5[nH]c(-c6n[nH]c7ccc(-c8cncc(NC(=O)C(C)C)c8)cc67)nc45)ccc3F)c3[nH]nc(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2)c1.

What is the InChIKey of N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?

The InChIKey is LUXVUDUKHJNQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42F2N14O/c1-4-58-23-29-17-34(25-59-24-29)33-21-39(48-41(22-33)50(71-69-48)54-65-44-13-15-61-46(51(44)66-54)30-5-9-36(56)10-6-30)38-20-32(7-11-42(38)57)47-52-45(14-16-62-47)64-53(67-52)49-40-19-31(8-12-43(40)68-70-49)35-18-37(27-60-26-35)63-55(72)28(2)3/h5-22,24-28,58H,4,23H2,1-3H3,(H,63,72)(H,64,67)(H,65,66)(H,68,70)(H,69,71).

What are the key properties of N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?

N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 953.03 g/mol, XLogP of 11.42, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 145034461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).