[11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone

C18H22FN5O2 — CID 134070429

About [11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone

[11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 134070429) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is [11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

• Compound Name: [11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone
• PubChem CID: 134070429
• Molecular Formula: C18H22FN5O2
• Molecular Weight: 359.41 g/mol
• Exact Mass: 359.18
• IUPAC Name: [11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone
• SMILES: O=C(c1ccc[nH]1)N1CCCC2(COCCN(c3ncc(F)cn3)C2)C1
• InChI: InChI=1S/C18H22FN5O2/c19-14-9-21-17(22-10-14)24-7-8-26-13-18(12-24)4-2-6-23(11-18)16(25)15-3-1-5-20-15/h1,3,5,9-10,20H,2,4,6-8,11-13H2
• InChIKey: IZWGQECDFXKMKQ-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 74.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.41
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone?

The IUPAC name of [11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone (CID 134070429) is [11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone.

What is the SMILES notation for [11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone?

The canonical SMILES for [11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCCC2(COCCN(c3ncc(F)cn3)C2)C1.

What is the InChIKey of [11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone?

The InChIKey is IZWGQECDFXKMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c19-14-9-21-17(22-10-14)24-7-8-26-13-18(12-24)4-2-6-23(11-18)16(25)15-3-1-5-20-15/h1,3,5,9-10,20H,2,4,6-8,11-13H2.

What are the key properties of [11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone?

[11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 359.41 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 134070429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).