5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C27H21FN6O3 — CID 175682353

About 5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175682353) has the molecular formula C27H21FN6O3 and a molecular weight of 496.50 g/mol. Its IUPAC name is 5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 175682353
• Molecular Formula: C27H21FN6O3
• Molecular Weight: 496.50 g/mol
• Exact Mass: 496.17
• IUPAC Name: 5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C3C[C@@H]3F)n2)cc1NC(=O)c1cnn2ccc(NC(=O)c3ccccc3)cc12
• InChI: InChI=1S/C27H21FN6O3/c1-15-7-8-17(24-32-27(37-33-24)19-13-21(19)28)11-22(15)31-26(36)20-14-29-34-10-9-18(12-23(20)34)30-25(35)16-5-3-2-4-6-16/h2-12,14,19,21H,13H2,1H3,(H,30,35)(H,31,36)/t19?,21-/m0/s1
• InChIKey: LPALIXUHWCCIKG-QWAKEFERSA-N
• XLogP: 5.02
• TPSA: 114.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.50
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 175682353) is 5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3C[C@@H]3F)n2)cc1NC(=O)c1cnn2ccc(NC(=O)c3ccccc3)cc12.

What is the InChIKey of 5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is LPALIXUHWCCIKG-QWAKEFERSA-N. The full InChI is InChI=1S/C27H21FN6O3/c1-15-7-8-17(24-32-27(37-33-24)19-13-21(19)28)11-22(15)31-26(36)20-14-29-34-10-9-18(12-23(20)34)30-25(35)16-5-3-2-4-6-16/h2-12,14,19,21H,13H2,1H3,(H,30,35)(H,31,36)/t19?,21-/m0/s1.

What are the key properties of 5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 496.50 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175682353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).