2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid

C20H17N5O3 — CID 68770357

About 2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid

2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid (PubChem CID 68770357) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
• PubChem CID: 68770357
• Molecular Formula: C20H17N5O3
• Molecular Weight: 375.39 g/mol
• Exact Mass: 375.13
• IUPAC Name: 2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
• SMILES: Cc1cnc(-c2nc(-c3ccc4c(c3)cc3n4CC[C@H]3CC(=O)O)no2)cn1
• InChI: InChI=1S/C20H17N5O3/c1-11-9-22-15(10-21-11)20-23-19(24-28-20)13-2-3-16-14(6-13)7-17-12(8-18(26)27)4-5-25(16)17/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H,26,27)/t12-/m0/s1
• InChIKey: DMFADDYDVIZQPC-LBPRGKRZSA-N
• XLogP: 3.42
• TPSA: 106.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.39
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid?

The IUPAC name of 2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid (CID 68770357) is 2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid.

What is the SMILES notation for 2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid?

The canonical SMILES for 2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid is Cc1cnc(-c2nc(-c3ccc4c(c3)cc3n4CC[C@H]3CC(=O)O)no2)cn1.

What is the InChIKey of 2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid?

The InChIKey is DMFADDYDVIZQPC-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-11-9-22-15(10-21-11)20-23-19(24-28-20)13-2-3-16-14(6-13)7-17-12(8-18(26)27)4-5-25(16)17/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H,26,27)/t12-/m0/s1.

What are the key properties of 2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid?

2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid has a molecular weight of 375.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-6-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid is sourced from PubChem (CID 68770357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).