4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide

C23H23FN6O2 — CID 98065397

About 4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide

4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide (PubChem CID 98065397) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide
• PubChem CID: 98065397
• Molecular Formula: C23H23FN6O2
• Molecular Weight: 434.48 g/mol
• Exact Mass: 434.19
• IUPAC Name: 4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide
• SMILES: Cc1cnc(-c2nnc(C3CCC(CNC(=O)c4cc5c(F)cccc5[nH]4)CC3)o2)cn1
• InChI: InChI=1S/C23H23FN6O2/c1-13-10-26-20(12-25-13)23-30-29-22(32-23)15-7-5-14(6-8-15)11-27-21(31)19-9-16-17(24)3-2-4-18(16)28-19/h2-4,9-10,12,14-15,28H,5-8,11H2,1H3,(H,27,31)
• InChIKey: GBTCSQUSNQVPQA-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 109.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.48
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide?

The IUPAC name of 4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide (CID 98065397) is 4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide is Cc1cnc(-c2nnc(C3CCC(CNC(=O)c4cc5c(F)cccc5[nH]4)CC3)o2)cn1.

What is the InChIKey of 4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide?

The InChIKey is GBTCSQUSNQVPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-13-10-26-20(12-25-13)23-30-29-22(32-23)15-7-5-14(6-8-15)11-27-21(31)19-9-16-17(24)3-2-4-18(16)28-19/h2-4,9-10,12,14-15,28H,5-8,11H2,1H3,(H,27,31).

What are the key properties of 4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide?

4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 98065397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).