9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

C18H20FN5O — CID 118744455

IUPAC9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccncc2)CCC12CCCN(c1ncc(F)cn1)C2
InChIInChI=1S/C18H20FN5O/c19-15-10-21-17(22-11-15)24-8-1-4-18(13-24)5-9-23(16(18)25)12-14-2-6-20-7-3-14/h2-3,6-7,10-11H,1,4-5,8-9,12-13H2
InChIKeyWDYWJOIRGTUBIP-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.03
Rot. Bonds3

About 9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118744455) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118744455
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccncc2)CCC12CCCN(c1ncc(F)cn1)C2
InChIInChI=1S/C18H20FN5O/c19-15-10-21-17(22-11-15)24-8-1-4-18(13-24)5-9-23(16(18)25)12-14-2-6-20-7-3-14/h2-3,6-7,10-11H,1,4-5,8-9,12-13H2
InChIKeyWDYWJOIRGTUBIP-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 118744455) is 9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(Cc2ccncc2)CCC12CCCN(c1ncc(F)cn1)C2.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is WDYWJOIRGTUBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c19-15-10-21-17(22-11-15)24-8-1-4-18(13-24)5-9-23(16(18)25)12-14-2-6-20-7-3-14/h2-3,6-7,10-11H,1,4-5,8-9,12-13H2.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
9-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 341.39 g/mol, XLogP of 2.03, 3 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-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118744455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).