2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide

C28H18F2N6O — CID 118463745

IUPAC2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide
SMILESO=C(NCc1nc2ccncc2[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H18F2N6O/c29-19-6-1-16(2-7-19)26-27(17-3-8-20(30)9-4-17)36-23-13-18(5-10-21(23)35-26)28(37)32-15-25-33-22-11-12-31-14-24(22)34-25/h1-14H,15H2,(H,32,37)(H,33,34)
InChIKeyBSHKDAXSTWMKNH-UHFFFAOYSA-N
MW492.49 g/mol
LogP5.44
Rot. Bonds5

About 2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide

2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide (PubChem CID 118463745) has the molecular formula C28H18F2N6O and a molecular weight of 492.49 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide
PubChem CID118463745
Molecular FormulaC28H18F2N6O
Molecular Weight492.49 g/mol
Exact Mass492.15
IUPAC Name2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide
SMILESO=C(NCc1nc2ccncc2[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H18F2N6O/c29-19-6-1-16(2-7-19)26-27(17-3-8-20(30)9-4-17)36-23-13-18(5-10-21(23)35-26)28(37)32-15-25-33-22-11-12-31-14-24(22)34-25/h1-14H,15H2,(H,32,37)(H,33,34)
InChIKeyBSHKDAXSTWMKNH-UHFFFAOYSA-N
XLogP5.44
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.49
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide (CID 118463745) is 2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide is O=C(NCc1nc2ccncc2[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide?
The InChIKey is BSHKDAXSTWMKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F2N6O/c29-19-6-1-16(2-7-19)26-27(17-3-8-20(30)9-4-17)36-23-13-18(5-10-21(23)35-26)28(37)32-15-25-33-22-11-12-31-14-24(22)34-25/h1-14H,15H2,(H,32,37)(H,33,34).
What are the key properties of 2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide?
2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide has a molecular weight of 492.49 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118463745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).