N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide

C24H19F2N7O2 — CID 71280606

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-n3ccnc3)cn12
InChIInChI=1S/C24H19F2N7O2/c1-14-2-3-15(21-30-23(35-31-21)16-9-24(25,26)10-16)8-18(14)29-22(34)19-11-28-20-5-4-17(12-33(19)20)32-7-6-27-13-32/h2-8,11-13,16H,9-10H2,1H3,(H,29,34)
InChIKeySOFQDQXWUZWZKY-UHFFFAOYSA-N
MW475.46 g/mol
LogP4.64
Rot. Bonds5

About N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280606) has the molecular formula C24H19F2N7O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280606
Molecular FormulaC24H19F2N7O2
Molecular Weight475.46 g/mol
Exact Mass475.16
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-n3ccnc3)cn12
InChIInChI=1S/C24H19F2N7O2/c1-14-2-3-15(21-30-23(35-31-21)16-9-24(25,26)10-16)8-18(14)29-22(34)19-11-28-20-5-4-17(12-33(19)20)32-7-6-27-13-32/h2-8,11-13,16H,9-10H2,1H3,(H,29,34)
InChIKeySOFQDQXWUZWZKY-UHFFFAOYSA-N
XLogP4.64
TPSA103.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 71280606) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-n3ccnc3)cn12.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SOFQDQXWUZWZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O2/c1-14-2-3-15(21-30-23(35-31-21)16-9-24(25,26)10-16)8-18(14)29-22(34)19-11-28-20-5-4-17(12-33(19)20)32-7-6-27-13-32/h2-8,11-13,16H,9-10H2,1H3,(H,29,34).
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 475.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).