8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C18H20FN5O — CID 97493892

IUPAC8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(c3ncc(F)cn3)CC2)N1Cc1ccncc1
InChIInChI=1S/C18H20FN5O/c19-15-11-21-17(22-12-15)23-9-5-18(6-10-23)4-1-16(25)24(18)13-14-2-7-20-8-3-14/h2-3,7-8,11-12H,1,4-6,9-10,13H2
InChIKeyCXYLJGKYOJGPPX-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.17
Rot. Bonds3

About 8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493892) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493892
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(c3ncc(F)cn3)CC2)N1Cc1ccncc1
InChIInChI=1S/C18H20FN5O/c19-15-11-21-17(22-12-15)23-9-5-18(6-10-23)4-1-16(25)24(18)13-14-2-7-20-8-3-14/h2-3,7-8,11-12H,1,4-6,9-10,13H2
InChIKeyCXYLJGKYOJGPPX-UHFFFAOYSA-N
XLogP2.17
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.17
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-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97493892) is 8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(c3ncc(F)cn3)CC2)N1Cc1ccncc1.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CXYLJGKYOJGPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c19-15-11-21-17(22-12-15)23-9-5-18(6-10-23)4-1-16(25)24(18)13-14-2-7-20-8-3-14/h2-3,7-8,11-12H,1,4-6,9-10,13H2.
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
8-(5-fluoropyrimidin-2-yl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 341.39 g/mol, XLogP of 2.17, 3 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-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).