(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid

C19H21F3N6O4 — CID 155848694

IUPAC(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccnnc1)N1CCOC2(CCCN(c3cnccn3)C2)C1
InChIInChI=1S/C17H20N6O2.C2HF3O2/c24-16(14-2-4-20-21-10-14)23-8-9-25-17(13-23)3-1-7-22(12-17)15-11-18-5-6-19-15;3-2(4,5)1(6)7/h2,4-6,10-11H,1,3,7-9,12-13H2;(H,6,7)
InChIKeyRBOLDUIYCRYZDJ-UHFFFAOYSA-N
MW454.41 g/mol
LogP1.41
Rot. Bonds2

About (8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid

(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155848694) has the molecular formula C19H21F3N6O4 and a molecular weight of 454.41 g/mol. Its IUPAC name is (8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155848694
Molecular FormulaC19H21F3N6O4
Molecular Weight454.41 g/mol
Exact Mass454.16
IUPAC Name(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccnnc1)N1CCOC2(CCCN(c3cnccn3)C2)C1
InChIInChI=1S/C17H20N6O2.C2HF3O2/c24-16(14-2-4-20-21-10-14)23-8-9-25-17(13-23)3-1-7-22(12-17)15-11-18-5-6-19-15;3-2(4,5)1(6)7/h2,4-6,10-11H,1,3,7-9,12-13H2;(H,6,7)
InChIKeyRBOLDUIYCRYZDJ-UHFFFAOYSA-N
XLogP1.41
TPSA121.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
CID 134072507
N,N-diethyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155824379
(8-Pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155824856
Pyridazin-4-yl-(4-pyrimidin-2-yl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155862971
[4-(5-Fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 171672496
(8-Pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 171672860
(8-Pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 171697195
[(6S)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
CID 97372445
[(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
CID 97372446
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide
CID 110123583
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide
CID 124976345
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide
CID 124976346

Frequently Asked Questions

What is the IUPAC name of (8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 155848694) is (8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1ccnnc1)N1CCOC2(CCCN(c3cnccn3)C2)C1.
What is the InChIKey of (8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is RBOLDUIYCRYZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2.C2HF3O2/c24-16(14-2-4-20-21-10-14)23-8-9-25-17(13-23)3-1-7-22(12-17)15-11-18-5-6-19-15;3-2(4,5)1(6)7/h2,4-6,10-11H,1,3,7-9,12-13H2;(H,6,7).
What are the key properties of (8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid?
(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 454.41 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155848694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).