(3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C18H22N6O2 — CID 129475897

About (3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

(3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 129475897) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• PubChem CID: 129475897
• Molecular Formula: C18H22N6O2
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.18
• IUPAC Name: (3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• SMILES: Nc1nccnc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
• InChI: InChI=1S/C18H22N6O2/c19-16-15(20-7-8-21-16)18(25)24-11-5-13(12-24)26-14-4-3-6-22-17(14)23-9-1-2-10-23/h3-4,6-8,13H,1-2,5,9-12H2,(H2,19,21)/t13-/m0/s1
• InChIKey: RDCKMXRTZIOVTQ-ZDUSSCGKSA-N
• XLogP: 1.35
• TPSA: 97.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The IUPAC name of (3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 129475897) is (3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The canonical SMILES for (3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is Nc1nccnc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1.

What is the InChIKey of (3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The InChIKey is RDCKMXRTZIOVTQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6O2/c19-16-15(20-7-8-21-16)18(25)24-11-5-13(12-24)26-14-4-3-6-22-17(14)23-9-1-2-10-23/h3-4,6-8,13H,1-2,5,9-12H2,(H2,19,21)/t13-/m0/s1.

What are the key properties of (3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

(3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 354.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129475897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).