[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone

C20H20F3N3O2 — CID 134807086

IUPAC[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)N1CCOCC2(CN(Cc3cc(F)cc(F)c3)C2)C1
InChIInChI=1S/C20H20F3N3O2/c21-16-3-14(4-17(22)6-16)9-25-10-20(11-25)12-26(1-2-28-13-20)19(27)15-5-18(23)8-24-7-15/h3-8H,1-2,9-13H2
InChIKeyUQXPFMFVWWGIGK-UHFFFAOYSA-N
MW391.39 g/mol
LogP2.47
Rot. Bonds3

About [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone

[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone (PubChem CID 134807086) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone
PubChem CID134807086
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)N1CCOCC2(CN(Cc3cc(F)cc(F)c3)C2)C1
InChIInChI=1S/C20H20F3N3O2/c21-16-3-14(4-17(22)6-16)9-25-10-20(11-25)12-26(1-2-28-13-20)19(27)15-5-18(23)8-24-7-15/h3-8H,1-2,9-13H2
InChIKeyUQXPFMFVWWGIGK-UHFFFAOYSA-N
XLogP2.47
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone (CID 134807086) is [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone is O=C(c1cncc(F)c1)N1CCOCC2(CN(Cc3cc(F)cc(F)c3)C2)C1.
What is the InChIKey of [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is UQXPFMFVWWGIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-16-3-14(4-17(22)6-16)9-25-10-20(11-25)12-26(1-2-28-13-20)19(27)15-5-18(23)8-24-7-15/h3-8H,1-2,9-13H2.
What are the key properties of [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone?
[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 391.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 134807086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).