(1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

C19H25N5O2 — CID 131654156

About (1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

(1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (PubChem CID 131654156) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.

Molecular Properties

• Compound Name: (1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
• PubChem CID: 131654156
• Molecular Formula: C19H25N5O2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.20
• IUPAC Name: (1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
• SMILES: Cn1cccc1C(=O)N1CCCC2(COCCN(c3cnccn3)C2)C1
• InChI: InChI=1S/C19H25N5O2/c1-22-8-2-4-16(22)18(25)24-9-3-5-19(14-24)13-23(10-11-26-15-19)17-12-20-6-7-21-17/h2,4,6-8,12H,3,5,9-11,13-15H2,1H3
• InChIKey: WXKLKSGDQXBISX-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?

The IUPAC name of (1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (CID 131654156) is (1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.

What is the SMILES notation for (1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?

The canonical SMILES for (1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is Cn1cccc1C(=O)N1CCCC2(COCCN(c3cnccn3)C2)C1.

What is the InChIKey of (1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?

The InChIKey is WXKLKSGDQXBISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22-8-2-4-16(22)18(25)24-9-3-5-19(14-24)13-23(10-11-26-15-19)17-12-20-6-7-21-17/h2,4,6-8,12H,3,5,9-11,13-15H2,1H3.

What are the key properties of (1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?

(1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is sourced from PubChem (CID 131654156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).