N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C25H23N5O3 — CID 154863362

About N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 154863362) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

• Compound Name: N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
• PubChem CID: 154863362
• Molecular Formula: C25H23N5O3
• Molecular Weight: 441.49 g/mol
• Exact Mass: 441.18
• IUPAC Name: N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
• SMILES: CC1C(=O)Nc2cc(C(=O)Nc3cccc(OCc4cn5ccccc5n4)c3)ccc2N1C
• InChI: InChI=1S/C25H23N5O3/c1-16-24(31)28-21-12-17(9-10-22(21)29(16)2)25(32)27-18-6-5-7-20(13-18)33-15-19-14-30-11-4-3-8-23(30)26-19/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,31)
• InChIKey: RHTYHDUFOPZQRL-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.49
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?

The IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 154863362) is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

What is the SMILES notation for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?

The canonical SMILES for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is CC1C(=O)Nc2cc(C(=O)Nc3cccc(OCc4cn5ccccc5n4)c3)ccc2N1C.

What is the InChIKey of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?

The InChIKey is RHTYHDUFOPZQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-16-24(31)28-21-12-17(9-10-22(21)29(16)2)25(32)27-18-6-5-7-20(13-18)33-15-19-14-30-11-4-3-8-23(30)26-19/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,31).

What are the key properties of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 154863362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).