2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide

C28H25FN10O3 — CID 122179483

About 2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide

2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (PubChem CID 122179483) has the molecular formula C28H25FN10O3 and a molecular weight of 568.57 g/mol. Its IUPAC name is 2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
• PubChem CID: 122179483
• Molecular Formula: C28H25FN10O3
• Molecular Weight: 568.57 g/mol
• Exact Mass: 568.21
• IUPAC Name: 2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
• SMILES: CCn1cc([C@@]2(c3nn(CC(N)=O)c(=O)o3)N[C@@H](c3ncc(-c4ccc(F)cn4)[nH]3)Cc3c2[nH]c2ccccc32)cn1
• InChI: InChI=1S/C28H25FN10O3/c1-2-38-13-15(10-33-38)28(26-37-39(14-23(30)40)27(41)42-26)24-18(17-5-3-4-6-19(17)34-24)9-21(36-28)25-32-12-22(35-25)20-8-7-16(29)11-31-20/h3-8,10-13,21,34,36H,2,9,14H2,1H3,(H2,30,40)(H,32,35)/t21-,28-/m1/s1
• InChIKey: UDNHVXSMHHOEBX-LYZGTLIUSA-N
• XLogP: 2.12
• TPSA: 178.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.57
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?

The IUPAC name of 2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (CID 122179483) is 2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.

What is the SMILES notation for 2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?

The canonical SMILES for 2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is CCn1cc([C@@]2(c3nn(CC(N)=O)c(=O)o3)N[C@@H](c3ncc(-c4ccc(F)cn4)[nH]3)Cc3c2[nH]c2ccccc32)cn1.

What is the InChIKey of 2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?

The InChIKey is UDNHVXSMHHOEBX-LYZGTLIUSA-N. The full InChI is InChI=1S/C28H25FN10O3/c1-2-38-13-15(10-33-38)28(26-37-39(14-23(30)40)27(41)42-26)24-18(17-5-3-4-6-19(17)34-24)9-21(36-28)25-32-12-22(35-25)20-8-7-16(29)11-31-20/h3-8,10-13,21,34,36H,2,9,14H2,1H3,(H2,30,40)(H,32,35)/t21-,28-/m1/s1.

What are the key properties of 2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?

2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide has a molecular weight of 568.57 g/mol, XLogP of 2.12, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 122179483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).