N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide

C21H16N4O2 — CID 108801399

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1oc(NC(=O)c2ccn3cc(-c4ccccc4)nc3c2)c(C#N)c1C
InChIInChI=1S/C21H16N4O2/c1-13-14(2)27-21(17(13)11-22)24-20(26)16-8-9-25-12-18(23-19(25)10-16)15-6-4-3-5-7-15/h3-10,12H,1-2H3,(H,24,26)
InChIKeyRATGGUVMZXMFTQ-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.34
Rot. Bonds3

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 108801399) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID108801399
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1oc(NC(=O)c2ccn3cc(-c4ccccc4)nc3c2)c(C#N)c1C
InChIInChI=1S/C21H16N4O2/c1-13-14(2)27-21(17(13)11-22)24-20(26)16-8-9-25-12-18(23-19(25)10-16)15-6-4-3-5-7-15/h3-10,12H,1-2H3,(H,24,26)
InChIKeyRATGGUVMZXMFTQ-UHFFFAOYSA-N
XLogP4.34
TPSA83.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide (CID 108801399) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide is Cc1oc(NC(=O)c2ccn3cc(-c4ccccc4)nc3c2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is RATGGUVMZXMFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-13-14(2)27-21(17(13)11-22)24-20(26)16-8-9-25-12-18(23-19(25)10-16)15-6-4-3-5-7-15/h3-10,12H,1-2H3,(H,24,26).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 108801399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).