furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid

C19H21F3N4O4 — CID 155842296

IUPACfuran-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccco1)N1CCC2(CC1)CCN(c1ncccn1)C2
InChIInChI=1S/C17H20N4O2.C2HF3O2/c22-15(14-3-1-12-23-14)20-9-4-17(5-10-20)6-11-21(13-17)16-18-7-2-8-19-16;3-2(4,5)1(6)7/h1-3,7-8,12H,4-6,9-11,13H2;(H,6,7)
InChIKeyBJOHQZAACAYDMV-UHFFFAOYSA-N
MW426.40 g/mol
LogP2.84
Rot. Bonds2

About furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid

furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155842296) has the molecular formula C19H21F3N4O4 and a molecular weight of 426.40 g/mol. Its IUPAC name is furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namefuran-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155842296
Molecular FormulaC19H21F3N4O4
Molecular Weight426.40 g/mol
Exact Mass426.15
IUPAC Namefuran-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccco1)N1CCC2(CC1)CCN(c1ncccn1)C2
InChIInChI=1S/C17H20N4O2.C2HF3O2/c22-15(14-3-1-12-23-14)20-9-4-17(5-10-20)6-11-21(13-17)16-18-7-2-8-19-16;3-2(4,5)1(6)7/h1-3,7-8,12H,4-6,9-11,13H2;(H,6,7)
InChIKeyBJOHQZAACAYDMV-UHFFFAOYSA-N
XLogP2.84
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

furan-2-yl-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3233080
(2-methylfuran-3-yl)-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97449506
7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155850204
furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97493640
furan-2-yl-[2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3232660
furan-2-yl-[4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155853393
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
(5R)-9-(furan-2-carbonyl)-3-methyl-13-pyrimidin-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360392
8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746900
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234054
furan-2-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3234982
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid
CID 53270741

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid (CID 155842296) is furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1ccco1)N1CCC2(CC1)CCN(c1ncccn1)C2.
What is the InChIKey of furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is BJOHQZAACAYDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.C2HF3O2/c22-15(14-3-1-12-23-14)20-9-4-17(5-10-20)6-11-21(13-17)16-18-7-2-8-19-16;3-2(4,5)1(6)7/h1-3,7-8,12H,4-6,9-11,13H2;(H,6,7).
What are the key properties of furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 426.40 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155842296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).