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

C29H19F2N5O — CID 118463881

IUPAC2,3-bis(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2nccn2c1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C29H19F2N5O/c30-22-7-2-19(3-8-22)27-28(20-4-9-23(31)10-5-20)35-25-15-21(6-11-24(25)34-27)29(37)33-16-18-1-12-26-32-13-14-36(26)17-18/h1-15,17H,16H2,(H,33,37)
InChIKeyOEFUYGUYRKDFRP-UHFFFAOYSA-N
MW491.50 g/mol
LogP5.82
Rot. Bonds5

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

2,3-bis(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide (PubChem CID 118463881) has the molecular formula C29H19F2N5O and a molecular weight of 491.50 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide
PubChem CID118463881
Molecular FormulaC29H19F2N5O
Molecular Weight491.50 g/mol
Exact Mass491.16
IUPAC Name2,3-bis(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2nccn2c1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C29H19F2N5O/c30-22-7-2-19(3-8-22)27-28(20-4-9-23(31)10-5-20)35-25-15-21(6-11-24(25)34-27)29(37)33-16-18-1-12-26-32-13-14-36(26)17-18/h1-15,17H,16H2,(H,33,37)
InChIKeyOEFUYGUYRKDFRP-UHFFFAOYSA-N
XLogP5.82
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.50
LogP ≤ 55.82
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-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-bis(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide (CID 118463881) is 2,3-bis(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide is O=C(NCc1ccc2nccn2c1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide?
The InChIKey is OEFUYGUYRKDFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F2N5O/c30-22-7-2-19(3-8-22)27-28(20-4-9-23(31)10-5-20)35-25-15-21(6-11-24(25)34-27)29(37)33-16-18-1-12-26-32-13-14-36(26)17-18/h1-15,17H,16H2,(H,33,37).
What are the key properties of 2,3-bis(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide?
2,3-bis(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide has a molecular weight of 491.50 g/mol, XLogP of 5.82, 5 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-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118463881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).