2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide

C30H21F2N5O — CID 118463882

IUPAC2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide
SMILESO=C(NCCc1cnc2ccccn12)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C30H21F2N5O/c31-22-9-4-19(5-10-22)28-29(20-6-11-23(32)12-7-20)36-26-17-21(8-13-25(26)35-28)30(38)33-15-14-24-18-34-27-3-1-2-16-37(24)27/h1-13,16-18H,14-15H2,(H,33,38)
InChIKeyDZZQYOYJRAHYBM-UHFFFAOYSA-N
MW505.53 g/mol
LogP5.86
Rot. Bonds6

About 2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide

2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide (PubChem CID 118463882) has the molecular formula C30H21F2N5O and a molecular weight of 505.53 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide
PubChem CID118463882
Molecular FormulaC30H21F2N5O
Molecular Weight505.53 g/mol
Exact Mass505.17
IUPAC Name2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide
SMILESO=C(NCCc1cnc2ccccn12)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C30H21F2N5O/c31-22-9-4-19(5-10-22)28-29(20-6-11-23(32)12-7-20)36-26-17-21(8-13-25(26)35-28)30(38)33-15-14-24-18-34-27-3-1-2-16-37(24)27/h1-13,16-18H,14-15H2,(H,33,38)
InChIKeyDZZQYOYJRAHYBM-UHFFFAOYSA-N
XLogP5.86
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.53
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide (CID 118463882) is 2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide is O=C(NCCc1cnc2ccccn12)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide?
The InChIKey is DZZQYOYJRAHYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F2N5O/c31-22-9-4-19(5-10-22)28-29(20-6-11-23(32)12-7-20)36-26-17-21(8-13-25(26)35-28)30(38)33-15-14-24-18-34-27-3-1-2-16-37(24)27/h1-13,16-18H,14-15H2,(H,33,38).
What are the key properties of 2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide?
2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide has a molecular weight of 505.53 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118463882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).