4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid

C17H23F4N5O4 — CID 155824730

IUPAC4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22FN5O2.C2HF3O2/c1-19(2)14(22)20-5-3-15(4-6-20)11-21(7-8-23-15)13-17-9-12(16)10-18-13;3-2(4,5)1(6)7/h9-10H,3-8,11H2,1-2H3;(H,6,7)
InChIKeyVOIKLGLOINXLRD-UHFFFAOYSA-N
MW437.39 g/mol
LogP1.60
Rot. Bonds1

About 4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid

4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155824730) has the molecular formula C17H23F4N5O4 and a molecular weight of 437.39 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155824730
Molecular FormulaC17H23F4N5O4
Molecular Weight437.39 g/mol
Exact Mass437.17
IUPAC Name4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22FN5O2.C2HF3O2/c1-19(2)14(22)20-5-3-15(4-6-20)11-21(7-8-23-15)13-17-9-12(16)10-18-13;3-2(4,5)1(6)7/h9-10H,3-8,11H2,1-2H3;(H,6,7)
InChIKeyVOIKLGLOINXLRD-UHFFFAOYSA-N
XLogP1.60
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
1-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
CID 118743025
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118742777
1-[4-(5-Methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118742795
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 118743009
1-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone;2,2,2-trifluoroacetic acid
CID 118743024
9-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743078
9-Butan-2-yl-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743801
9-(Cyclobutylmethyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743808
9-(Cyclopropylmethyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743820
8-(5-Fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118743944
2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 118744486

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid (CID 155824730) is 4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is VOIKLGLOINXLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O2.C2HF3O2/c1-19(2)14(22)20-5-3-15(4-6-20)11-21(7-8-23-15)13-17-9-12(16)10-18-13;3-2(4,5)1(6)7/h9-10H,3-8,11H2,1-2H3;(H,6,7).
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid?
4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 437.39 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155824730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).