[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone

C25H30F3N3O3 — CID 66548347

IUPAC[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)CN(CC(F)(F)F)CC(c2ccccc2)O3)nc1
InChIInChI=1S/C25H30F3N3O3/c1-18(2)33-20-8-9-21(29-14-20)23(32)31-12-10-24(11-13-31)16-30(17-25(26,27)28)15-22(34-24)19-6-4-3-5-7-19/h3-9,14,18,22H,10-13,15-17H2,1-2H3
InChIKeyXYGIHWOYVXLJPP-UHFFFAOYSA-N
MW477.53 g/mol
LogP4.48
Rot. Bonds5

About [2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone

[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone (PubChem CID 66548347) has the molecular formula C25H30F3N3O3 and a molecular weight of 477.53 g/mol. Its IUPAC name is [2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone
PubChem CID66548347
Molecular FormulaC25H30F3N3O3
Molecular Weight477.53 g/mol
Exact Mass477.22
IUPAC Name[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)CN(CC(F)(F)F)CC(c2ccccc2)O3)nc1
InChIInChI=1S/C25H30F3N3O3/c1-18(2)33-20-8-9-21(29-14-20)23(32)31-12-10-24(11-13-31)16-30(17-25(26,27)28)15-22(34-24)19-6-4-3-5-7-19/h3-9,14,18,22H,10-13,15-17H2,1-2H3
InChIKeyXYGIHWOYVXLJPP-UHFFFAOYSA-N
XLogP4.48
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone?
The IUPAC name of [2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone (CID 66548347) is [2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone.
What is the SMILES notation for [2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone?
The canonical SMILES for [2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)CN(CC(F)(F)F)CC(c2ccccc2)O3)nc1.
What is the InChIKey of [2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone?
The InChIKey is XYGIHWOYVXLJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O3/c1-18(2)33-20-8-9-21(29-14-20)23(32)31-12-10-24(11-13-31)16-30(17-25(26,27)28)15-22(34-24)19-6-4-3-5-7-19/h3-9,14,18,22H,10-13,15-17H2,1-2H3.
What are the key properties of [2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone?
[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone has a molecular weight of 477.53 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone is sourced from PubChem (CID 66548347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).