8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one

C18H26FN5O — CID 97493813

IUPAC8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(c3ncc(F)cn3)CC2)N1CCN1CCCC1
InChIInChI=1S/C18H26FN5O/c19-15-13-20-17(21-14-15)23-9-5-18(6-10-23)4-3-16(25)24(18)12-11-22-7-1-2-8-22/h13-14H,1-12H2
InChIKeyIAUNZUBZRNHVSA-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.67
Rot. Bonds4

About 8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one

8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493813) has the molecular formula C18H26FN5O and a molecular weight of 347.44 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493813
Molecular FormulaC18H26FN5O
Molecular Weight347.44 g/mol
Exact Mass347.21
IUPAC Name8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(c3ncc(F)cn3)CC2)N1CCN1CCCC1
InChIInChI=1S/C18H26FN5O/c19-15-13-20-17(21-14-15)23-9-5-18(6-10-23)4-3-16(25)24(18)12-11-22-7-1-2-8-22/h13-14H,1-12H2
InChIKeyIAUNZUBZRNHVSA-UHFFFAOYSA-N
XLogP1.67
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97493813) is 8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(c3ncc(F)cn3)CC2)N1CCN1CCCC1.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IAUNZUBZRNHVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5O/c19-15-13-20-17(21-14-15)23-9-5-18(6-10-23)4-3-16(25)24(18)12-11-22-7-1-2-8-22/h13-14H,1-12H2.
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 347.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).