[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone

C17H19FN4O2 — CID 118740815

IUPAC[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H19FN4O2/c18-14-8-19-16(20-9-14)22-5-1-3-17(12-22)4-6-21(11-17)15(23)13-2-7-24-10-13/h2,7-10H,1,3-6,11-12H2
InChIKeyDBGKFJFXVMNBAQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.34
Rot. Bonds2

About [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone

[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone (PubChem CID 118740815) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
PubChem CID118740815
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H19FN4O2/c18-14-8-19-16(20-9-14)22-5-1-3-17(12-22)4-6-21(11-17)15(23)13-2-7-24-10-13/h2,7-10H,1,3-6,11-12H2
InChIKeyDBGKFJFXVMNBAQ-UHFFFAOYSA-N
XLogP2.34
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone?
The IUPAC name of [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone (CID 118740815) is [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone?
The canonical SMILES for [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone?
The InChIKey is DBGKFJFXVMNBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-14-8-19-16(20-9-14)22-5-1-3-17(12-22)4-6-21(11-17)15(23)13-2-7-24-10-13/h2,7-10H,1,3-6,11-12H2.
What are the key properties of [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone?
[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone has a molecular weight of 330.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 118740815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).