3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide

C28H25FN6O — CID 118463665

IUPAC3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2nccn2c1)c1ccc2nc(N3CCCCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H25FN6O/c29-22-8-5-20(6-9-22)26-27(34-13-2-1-3-14-34)33-23-10-7-21(16-24(23)32-26)28(36)31-17-19-4-11-25-30-12-15-35(25)18-19/h4-12,15-16,18H,1-3,13-14,17H2,(H,31,36)
InChIKeyXFZHNVGXPGPUMC-UHFFFAOYSA-N
MW480.55 g/mol
LogP5.00
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide

3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide (PubChem CID 118463665) has the molecular formula C28H25FN6O and a molecular weight of 480.55 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide
PubChem CID118463665
Molecular FormulaC28H25FN6O
Molecular Weight480.55 g/mol
Exact Mass480.21
IUPAC Name3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2nccn2c1)c1ccc2nc(N3CCCCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H25FN6O/c29-22-8-5-20(6-9-22)26-27(34-13-2-1-3-14-34)33-23-10-7-21(16-24(23)32-26)28(36)31-17-19-4-11-25-30-12-15-35(25)18-19/h4-12,15-16,18H,1-3,13-14,17H2,(H,31,36)
InChIKeyXFZHNVGXPGPUMC-UHFFFAOYSA-N
XLogP5.00
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.55
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide (CID 118463665) is 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide is O=C(NCc1ccc2nccn2c1)c1ccc2nc(N3CCCCC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide?
The InChIKey is XFZHNVGXPGPUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O/c29-22-8-5-20(6-9-22)26-27(34-13-2-1-3-14-34)33-23-10-7-21(16-24(23)32-26)28(36)31-17-19-4-11-25-30-12-15-35(25)18-19/h4-12,15-16,18H,1-3,13-14,17H2,(H,31,36).
What are the key properties of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide?
3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-piperidin-1-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 118463665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).