2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide

C28H22FN7O — CID 118463611

IUPAC2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc4nccn4c3)nc2c1
InChIInChI=1S/C28H22FN7O/c29-21-7-3-18(4-8-21)26-27(20-6-10-25-32-14-15-36(25)17-20)35-23-16-19(5-9-22(23)34-26)28(37)33-11-1-2-24-30-12-13-31-24/h3-10,12-17H,1-2,11H2,(H,30,31)(H,33,37)
InChIKeyUYKJJHIBSLAMGH-UHFFFAOYSA-N
MW491.53 g/mol
LogP4.84
Rot. Bonds7

About 2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide

2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide (PubChem CID 118463611) has the molecular formula C28H22FN7O and a molecular weight of 491.53 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
PubChem CID118463611
Molecular FormulaC28H22FN7O
Molecular Weight491.53 g/mol
Exact Mass491.19
IUPAC Name2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc4nccn4c3)nc2c1
InChIInChI=1S/C28H22FN7O/c29-21-7-3-18(4-8-21)26-27(20-6-10-25-32-14-15-36(25)17-20)35-23-16-19(5-9-22(23)34-26)28(37)33-11-1-2-24-30-12-13-31-24/h3-10,12-17H,1-2,11H2,(H,30,31)(H,33,37)
InChIKeyUYKJJHIBSLAMGH-UHFFFAOYSA-N
XLogP4.84
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 216210
Ly-2090314
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IN-1130
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Purfalcamine
CID 24762166
2-(9H-purin-6-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
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(2R)-N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenylpropanamide
CID 23646210
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CID 23646211
{4-[9-Phenyl-2-(quinolin-3-ylamino)-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone
CID 24762176

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide (CID 118463611) is 2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide is O=C(NCCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc4nccn4c3)nc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide?
The InChIKey is UYKJJHIBSLAMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN7O/c29-21-7-3-18(4-8-21)26-27(20-6-10-25-32-14-15-36(25)17-20)35-23-16-19(5-9-22(23)34-26)28(37)33-11-1-2-24-30-12-13-31-24/h3-10,12-17H,1-2,11H2,(H,30,31)(H,33,37).
What are the key properties of 2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide?
2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide has a molecular weight of 491.53 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 118463611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).