[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone

C15H15FN4O2 — CID 97392917

IUPAC[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC2(C1)CN(c1ncc(F)cn1)C2
InChIInChI=1S/C15H15FN4O2/c16-12-5-17-14(18-6-12)20-9-15(10-20)2-3-19(8-15)13(21)11-1-4-22-7-11/h1,4-7H,2-3,8-10H2
InChIKeyIERGWRLPZAORRE-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.56
Rot. Bonds2

About [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone

[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone (PubChem CID 97392917) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
PubChem CID97392917
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC2(C1)CN(c1ncc(F)cn1)C2
InChIInChI=1S/C15H15FN4O2/c16-12-5-17-14(18-6-12)20-9-15(10-20)2-3-19(8-15)13(21)11-1-4-22-7-11/h1,4-7H,2-3,8-10H2
InChIKeyIERGWRLPZAORRE-UHFFFAOYSA-N
XLogP1.56
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone (CID 97392917) is [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC2(C1)CN(c1ncc(F)cn1)C2.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone?
The InChIKey is IERGWRLPZAORRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-12-5-17-14(18-6-12)20-9-15(10-20)2-3-19(8-15)13(21)11-1-4-22-7-11/h1,4-7H,2-3,8-10H2.
What are the key properties of [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone?
[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone has a molecular weight of 302.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 97392917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).