3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol

C34H32FN5O2 — CID 118573416

About 3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol

3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol (PubChem CID 118573416) has the molecular formula C34H32FN5O2 and a molecular weight of 561.66 g/mol. Its IUPAC name is 3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol.

Molecular Properties

• Compound Name: 3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol
• PubChem CID: 118573416
• Molecular Formula: C34H32FN5O2
• Molecular Weight: 561.66 g/mol
• Exact Mass: 561.25
• IUPAC Name: 3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol
• SMILES: CC(c1cc2ccccn2c1-c1ccc(CN2CCOCC2)cc1)n1nc(-c2cc(O)cc(F)c2)c2c(N)cccc21
• InChI: InChI=1S/C34H32FN5O2/c1-22(40-31-7-4-6-30(36)32(31)33(37-40)25-17-26(35)19-28(41)18-25)29-20-27-5-2-3-12-39(27)34(29)24-10-8-23(9-11-24)21-38-13-15-42-16-14-38/h2-12,17-20,22,41H,13-16,21,36H2,1H3
• InChIKey: NWCPENXOQRHFDH-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 80.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.66
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol?

The IUPAC name of 3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol (CID 118573416) is 3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol.

What is the SMILES notation for 3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol?

The canonical SMILES for 3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol is CC(c1cc2ccccn2c1-c1ccc(CN2CCOCC2)cc1)n1nc(-c2cc(O)cc(F)c2)c2c(N)cccc21.

What is the InChIKey of 3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol?

The InChIKey is NWCPENXOQRHFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN5O2/c1-22(40-31-7-4-6-30(36)32(31)33(37-40)25-17-26(35)19-28(41)18-25)29-20-27-5-2-3-12-39(27)34(29)24-10-8-23(9-11-24)21-38-13-15-42-16-14-38/h2-12,17-20,22,41H,13-16,21,36H2,1H3.

What are the key properties of 3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol?

3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol has a molecular weight of 561.66 g/mol, XLogP of 6.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-amino-1-[1-[3-[4-(morpholin-4-ylmethyl)phenyl]indolizin-2-yl]ethyl]indazol-3-yl]-5-fluorophenol is sourced from PubChem (CID 118573416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).