N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane

C28H35F2N5O5 — CID 171795342

About N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane

N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane (PubChem CID 171795342) has the molecular formula C28H35F2N5O5 and a molecular weight of 559.61 g/mol. Its IUPAC name is N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane
• PubChem CID: 171795342
• Molecular Formula: C28H35F2N5O5
• Molecular Weight: 559.61 g/mol
• Exact Mass: 559.26
• IUPAC Name: N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane
• SMILES: CC.Cc1ccc(-c2nc(CC(O)C(F)F)no2)cc1NC(=O)c1cnc2cc(COCCC(C)(C)O)ccn12
• InChI: InChI=1S/C26H29F2N5O5.C2H6/c1-15-4-5-17(25-31-21(32-38-25)12-20(34)23(27)28)11-18(15)30-24(35)19-13-29-22-10-16(6-8-33(19)22)14-37-9-7-26(2,3)36;1-2/h4-6,8,10-11,13,20,23,34,36H,7,9,12,14H2,1-3H3,(H,30,35);1-2H3
• InChIKey: PTGKFZBOCAUDLK-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 135.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.61
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane?

The IUPAC name of N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane (CID 171795342) is N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane.

What is the SMILES notation for N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane?

The canonical SMILES for N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane is CC.Cc1ccc(-c2nc(CC(O)C(F)F)no2)cc1NC(=O)c1cnc2cc(COCCC(C)(C)O)ccn12.

What is the InChIKey of N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane?

The InChIKey is PTGKFZBOCAUDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O5.C2H6/c1-15-4-5-17(25-31-21(32-38-25)12-20(34)23(27)28)11-18(15)30-24(35)19-13-29-22-10-16(6-8-33(19)22)14-37-9-7-26(2,3)36;1-2/h4-6,8,10-11,13,20,23,34,36H,7,9,12,14H2,1-3H3,(H,30,35);1-2H3.

What are the key properties of N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane?

N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane has a molecular weight of 559.61 g/mol, XLogP of 4.82, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(3,3-difluoro-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-7-[(3-hydroxy-3-methylbutoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 171795342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).