8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid

C22H24F3N3O5 — CID 118744338

IUPAC8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid
SMILESCc1cccc(N2CCOCC3(C2)CN(c2ccccc2)C(=O)CO3)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23N3O3.C2HF3O2/c1-16-6-5-9-18(21-16)22-10-11-25-15-20(13-22)14-23(19(24)12-26-20)17-7-3-2-4-8-17;3-2(4,5)1(6)7/h2-9H,10-15H2,1H3;(H,6,7)
InChIKeyWGXMJJNNLUXJGR-UHFFFAOYSA-N
MW467.44 g/mol
LogP2.66
Rot. Bonds2

About 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid

8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid (PubChem CID 118744338) has the molecular formula C22H24F3N3O5 and a molecular weight of 467.44 g/mol. Its IUPAC name is 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid
PubChem CID118744338
Molecular FormulaC22H24F3N3O5
Molecular Weight467.44 g/mol
Exact Mass467.17
IUPAC Name8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid
SMILESCc1cccc(N2CCOCC3(C2)CN(c2ccccc2)C(=O)CO3)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23N3O3.C2HF3O2/c1-16-6-5-9-18(21-16)22-10-11-25-15-20(13-22)14-23(19(24)12-26-20)17-7-3-2-4-8-17;3-2(4,5)1(6)7/h2-9H,10-15H2,1H3;(H,6,7)
InChIKeyWGXMJJNNLUXJGR-UHFFFAOYSA-N
XLogP2.66
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

8-(6-Methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740699
8-(6-Methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118744339
4-(3-Fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118744809
4-(3-Fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid
CID 118744808
2-Methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone;2,2,2-trifluoroacetic acid
CID 118745172
1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 118746563
(R)-tert-butyl 2-hydroxy-2-((R)-3-oxo-4-(6-(trifluoromethyl)pyridin-2-yl)morpholin-2-yl)acetate
CID 58290485
tert-butyl (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)pyridin-2-yl]morpholin-2-yl]acetate
CID 58290555
Tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate
CID 76742889
Tert-butyl 2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate
CID 76742938
tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate
CID 89688651
Propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate
CID 90239008

Frequently Asked Questions

What is the IUPAC name of 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid (CID 118744338) is 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid is Cc1cccc(N2CCOCC3(C2)CN(c2ccccc2)C(=O)CO3)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid?
The InChIKey is WGXMJJNNLUXJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.C2HF3O2/c1-16-6-5-9-18(21-16)22-10-11-25-15-20(13-22)14-23(19(24)12-26-20)17-7-3-2-4-8-17;3-2(4,5)1(6)7/h2-9H,10-15H2,1H3;(H,6,7).
What are the key properties of 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid?
8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid has a molecular weight of 467.44 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).