4-[3-fluoro-5-[3-methyl-2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine

C33H33FN10O — CID 139418142

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

4-[3-fluoro-5-[3-methyl-2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine (PubChem CID 139418142) has the molecular formula C33H33FN10O and a molecular weight of 604.69 g/mol. Its IUPAC name is 4-[3-fluoro-5-[3-methyl-2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine.

Molecular Properties

• Compound Name: 4-[3-fluoro-5-[3-methyl-2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine
• PubChem CID: 139418142
• Molecular Formula: C33H33FN10O
• Molecular Weight: 604.69 g/mol
• Exact Mass: 604.28
• IUPAC Name: 4-[3-fluoro-5-[3-methyl-2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine
• SMILES: Cn1c(-c2[nH]nc3ncc(-c4cncc(CN5CCNCC5)c4)cc23)nc2c(-c3cc(F)cc(N4CCOCC4)c3)cncc21
• InChI: InChI=1S/C33H33FN10O/c1-42-29-19-37-18-28(22-11-25(34)14-26(12-22)44-6-8-45-9-7-44)30(29)39-33(42)31-27-13-24(17-38-32(27)41-40-31)23-10-21(15-36-16-23)20-43-4-2-35-3-5-43/h10-19,35H,2-9,20H2,1H3,(H,38,40,41)
• InChIKey: HVXILGXSVWTYHK-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 112.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.69
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-[3-fluoro-5-[3-methyl-2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine (CID 139418142) is 4-[3-fluoro-5-[3-methyl-2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine.

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

The canonical SMILES for 4-[3-fluoro-5-[3-methyl-2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine is Cn1c(-c2[nH]nc3ncc(-c4cncc(CN5CCNCC5)c4)cc23)nc2c(-c3cc(F)cc(N4CCOCC4)c3)cncc21.

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

The InChIKey is HVXILGXSVWTYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN10O/c1-42-29-19-37-18-28(22-11-25(34)14-26(12-22)44-6-8-45-9-7-44)30(29)39-33(42)31-27-13-24(17-38-32(27)41-40-31)23-10-21(15-36-16-23)20-43-4-2-35-3-5-43/h10-19,35H,2-9,20H2,1H3,(H,38,40,41).

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

4-[3-fluoro-5-[3-methyl-2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine has a molecular weight of 604.69 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-fluoro-5-[3-methyl-2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine is sourced from PubChem (CID 139418142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).