3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide

C28H23N7O — CID 118463561

IUPAC3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2nc(-c3ccccc3)c(-c3ccc4nccn4c3)nc2c1
InChIInChI=1S/C28H23N7O/c36-28(31-11-4-14-34-15-12-29-19-34)21-7-9-23-24(17-21)33-27(26(32-23)20-5-2-1-3-6-20)22-8-10-25-30-13-16-35(25)18-22/h1-3,5-10,12-13,15-19H,4,11,14H2,(H,31,36)
InChIKeyPWMTXKCOLRFFJJ-UHFFFAOYSA-N
MW473.54 g/mol
LogP4.63
Rot. Bonds7

About 3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide

3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide (PubChem CID 118463561) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide
PubChem CID118463561
Molecular FormulaC28H23N7O
Molecular Weight473.54 g/mol
Exact Mass473.20
IUPAC Name3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2nc(-c3ccccc3)c(-c3ccc4nccn4c3)nc2c1
InChIInChI=1S/C28H23N7O/c36-28(31-11-4-14-34-15-12-29-19-34)21-7-9-23-24(17-21)33-27(26(32-23)20-5-2-1-3-6-20)22-8-10-25-30-13-16-35(25)18-22/h1-3,5-10,12-13,15-19H,4,11,14H2,(H,31,36)
InChIKeyPWMTXKCOLRFFJJ-UHFFFAOYSA-N
XLogP4.63
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide?
The IUPAC name of 3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide (CID 118463561) is 3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide is O=C(NCCCn1ccnc1)c1ccc2nc(-c3ccccc3)c(-c3ccc4nccn4c3)nc2c1.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide?
The InChIKey is PWMTXKCOLRFFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c36-28(31-11-4-14-34-15-12-29-19-34)21-7-9-23-24(17-21)33-27(26(32-23)20-5-2-1-3-6-20)22-8-10-25-30-13-16-35(25)18-22/h1-3,5-10,12-13,15-19H,4,11,14H2,(H,31,36).
What are the key properties of 3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide?
3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-6-yl-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide is sourced from PubChem (CID 118463561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).