N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide

C21H19F2N5O4 — CID 171796819

About N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171796819) has the molecular formula C21H19F2N5O4 and a molecular weight of 443.41 g/mol. Its IUPAC name is N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 171796819
• Molecular Formula: C21H19F2N5O4
• Molecular Weight: 443.41 g/mol
• Exact Mass: 443.14
• IUPAC Name: N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: COc1ccc2ncc(C(=O)Nc3cc(-c4noc(C[C@@H](O)C(F)F)n4)ccc3C)n2c1
• InChI: InChI=1S/C21H19F2N5O4/c1-11-3-4-12(20-26-18(32-27-20)8-16(29)19(22)23)7-14(11)25-21(30)15-9-24-17-6-5-13(31-2)10-28(15)17/h3-7,9-10,16,19,29H,8H2,1-2H3,(H,25,30)/t16-/m1/s1
• InChIKey: FDUCTOKJSAUZRB-MRXNPFEDSA-N
• XLogP: 3.12
• TPSA: 114.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.41
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide (CID 171796819) is N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide is COc1ccc2ncc(C(=O)Nc3cc(-c4noc(C[C@@H](O)C(F)F)n4)ccc3C)n2c1.

What is the InChIKey of N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is FDUCTOKJSAUZRB-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19F2N5O4/c1-11-3-4-12(20-26-18(32-27-20)8-16(29)19(22)23)7-14(11)25-21(30)15-9-24-17-6-5-13(31-2)10-28(15)17/h3-7,9-10,16,19,29H,8H2,1-2H3,(H,25,30)/t16-/m1/s1.

What are the key properties of N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 443.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171796819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).