5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine

C50H32F4N14 — CID 145034103

About 5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine

5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine (PubChem CID 145034103) has the molecular formula C50H32F4N14 and a molecular weight of 904.90 g/mol. Its IUPAC name is 5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine
• PubChem CID: 145034103
• Molecular Formula: C50H32F4N14
• Molecular Weight: 904.90 g/mol
• Exact Mass: 904.29
• IUPAC Name: 5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine
• SMILES: Cc1cncc(-c2nc(-c3cc(-c4nccc5[nH]c(C6=NCNc7cc(C)c(-c8cncc(N)c8)c(F)c76)nc45)ccc3F)c3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C50H32F4N14/c1-22-12-27(19-56-17-22)40-39(54)37-46(67-68-48(37)50-63-33-9-10-58-41(44(33)66-50)24-4-3-5-28(51)14-24)43(64-40)30-16-25(6-7-31(30)52)42-45-32(8-11-59-42)62-49(65-45)47-36-34(60-21-61-47)13-23(2)35(38(36)53)26-15-29(55)20-57-18-26/h3-20,60H,21,55H2,1-2H3,(H,62,65)(H,63,66)(H,67,68)
• InChIKey: YHDRRLZYXINQFI-UHFFFAOYSA-N
• XLogP: 10.27
• TPSA: 200.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	904.90
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine?

The IUPAC name of 5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine (CID 145034103) is 5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine.

What is the SMILES notation for 5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine?

The canonical SMILES for 5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine is Cc1cncc(-c2nc(-c3cc(-c4nccc5[nH]c(C6=NCNc7cc(C)c(-c8cncc(N)c8)c(F)c76)nc45)ccc3F)c3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2F)c1.

What is the InChIKey of 5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine?

The InChIKey is YHDRRLZYXINQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32F4N14/c1-22-12-27(19-56-17-22)40-39(54)37-46(67-68-48(37)50-63-33-9-10-58-41(44(33)66-50)24-4-3-5-28(51)14-24)43(64-40)30-16-25(6-7-31(30)52)42-45-32(8-11-59-42)62-49(65-45)47-36-34(60-21-61-47)13-23(2)35(38(36)53)26-15-29(55)20-57-18-26/h3-20,60H,21,55H2,1-2H3,(H,62,65)(H,63,66)(H,67,68).

What are the key properties of 5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine?

5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine has a molecular weight of 904.90 g/mol, XLogP of 10.27, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine is sourced from PubChem (CID 145034103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).