[2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone

C22H24ClN3O2 — CID 163544971

About [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone

[2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone (PubChem CID 163544971) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone.

Molecular Properties

• Compound Name: [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone
• PubChem CID: 163544971
• Molecular Formula: C22H24ClN3O2
• Molecular Weight: 397.91 g/mol
• Exact Mass: 397.16
• IUPAC Name: [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone
• SMILES: O=C(c1cnc(CC2Cc3ccc(Cl)cc3C2)nc1)N1CCC12CCOCC2
• InChI: InChI=1S/C22H24ClN3O2/c23-19-2-1-16-9-15(10-17(16)12-19)11-20-24-13-18(14-25-20)21(27)26-6-3-22(26)4-7-28-8-5-22/h1-2,12-15H,3-11H2
• InChIKey: FEGPABYTCYTQMO-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 55.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.91
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone?

The IUPAC name of [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone (CID 163544971) is [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone.

What is the SMILES notation for [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone?

The canonical SMILES for [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone is O=C(c1cnc(CC2Cc3ccc(Cl)cc3C2)nc1)N1CCC12CCOCC2.

What is the InChIKey of [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone?

The InChIKey is FEGPABYTCYTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-19-2-1-16-9-15(10-17(16)12-19)11-20-24-13-18(14-25-20)21(27)26-6-3-22(26)4-7-28-8-5-22/h1-2,12-15H,3-11H2.

What are the key properties of [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone?

[2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone has a molecular weight of 397.91 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]pyrimidin-5-yl]-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone is sourced from PubChem (CID 163544971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).