[2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone

C18H20FN5O — CID 97449618

IUPAC[2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C18H20FN5O/c19-15-11-21-17(22-12-15)24-9-5-18(13-24)3-7-23(8-4-18)16(25)14-2-1-6-20-10-14/h1-2,6,10-12H,3-5,7-9,13H2
InChIKeyBWGUHWCXSQFNEP-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.14
Rot. Bonds2

About [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone

[2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone (PubChem CID 97449618) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
PubChem CID97449618
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name[2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C18H20FN5O/c19-15-11-21-17(22-12-15)24-9-5-18(13-24)3-7-23(8-4-18)16(25)14-2-1-6-20-10-14/h1-2,6,10-12H,3-5,7-9,13H2
InChIKeyBWGUHWCXSQFNEP-UHFFFAOYSA-N
XLogP2.14
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.14
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)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone (CID 97449618) is [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC2(CC1)CCN(c1ncc(F)cn1)C2.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The InChIKey is BWGUHWCXSQFNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c19-15-11-21-17(22-12-15)24-9-5-18(13-24)3-7-23(8-4-18)16(25)14-2-1-6-20-10-14/h1-2,6,10-12H,3-5,7-9,13H2.
What are the key properties of [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
[2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone has a molecular weight of 341.39 g/mol, XLogP of 2.14, 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)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 97449618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).