6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide

C29H30BrFN4O2 — CID 141476285

IUPAC6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Br)cn2c1C(=O)NCCOc1ccc(N2CCC(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C29H30BrFN4O2/c1-2-26-28(35-19-22(30)5-12-27(35)33-26)29(36)32-15-18-37-25-10-8-24(9-11-25)34-16-13-21(14-17-34)20-3-6-23(31)7-4-20/h3-12,19,21H,2,13-18H2,1H3,(H,32,36)
InChIKeyLRGLKVLFTLFKKU-UHFFFAOYSA-N
MW565.49 g/mol
LogP5.99
Rot. Bonds8

About 6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide

6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 141476285) has the molecular formula C29H30BrFN4O2 and a molecular weight of 565.49 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID141476285
Molecular FormulaC29H30BrFN4O2
Molecular Weight565.49 g/mol
Exact Mass564.15
IUPAC Name6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Br)cn2c1C(=O)NCCOc1ccc(N2CCC(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C29H30BrFN4O2/c1-2-26-28(35-19-22(30)5-12-27(35)33-26)29(36)32-15-18-37-25-10-8-24(9-11-25)34-16-13-21(14-17-34)20-3-6-23(31)7-4-20/h3-12,19,21H,2,13-18H2,1H3,(H,32,36)
InChIKeyLRGLKVLFTLFKKU-UHFFFAOYSA-N
XLogP5.99
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.49
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 141476285) is 6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Br)cn2c1C(=O)NCCOc1ccc(N2CCC(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LRGLKVLFTLFKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30BrFN4O2/c1-2-26-28(35-19-22(30)5-12-27(35)33-26)29(36)32-15-18-37-25-10-8-24(9-11-25)34-16-13-21(14-17-34)20-3-6-23(31)7-4-20/h3-12,19,21H,2,13-18H2,1H3,(H,32,36).
What are the key properties of 6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 565.49 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 141476285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).