5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one

C22H22F6N8O3 — CID 166132284

IUPAC5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCOCC2COCc2cc3n(n2)CCN(c2ncc(C(F)(F)F)cn2)C3)c1C(F)(F)F
InChIInChI=1S/C22H22F6N8O3/c23-21(24,25)13-6-29-20(30-7-13)34-1-2-36-15(9-34)5-14(33-36)10-39-12-16-11-38-4-3-35(16)17-8-31-32-19(37)18(17)22(26,27)28/h5-8,16H,1-4,9-12H2,(H,32,37)
InChIKeyKLWCREBTWASOJE-UHFFFAOYSA-N
MW560.46 g/mol
LogP2.24
Rot. Bonds6

About 5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one

5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one (PubChem CID 166132284) has the molecular formula C22H22F6N8O3 and a molecular weight of 560.46 g/mol. Its IUPAC name is 5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one
PubChem CID166132284
Molecular FormulaC22H22F6N8O3
Molecular Weight560.46 g/mol
Exact Mass560.17
IUPAC Name5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCOCC2COCc2cc3n(n2)CCN(c2ncc(C(F)(F)F)cn2)C3)c1C(F)(F)F
InChIInChI=1S/C22H22F6N8O3/c23-21(24,25)13-6-29-20(30-7-13)34-1-2-36-15(9-34)5-14(33-36)10-39-12-16-11-38-4-3-35(16)17-8-31-32-19(37)18(17)22(26,27)28/h5-8,16H,1-4,9-12H2,(H,32,37)
InChIKeyKLWCREBTWASOJE-UHFFFAOYSA-N
XLogP2.24
TPSA114.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one with MolForge

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Related Compounds

5-(trifluoromethyl)-4-[[(2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-yl]amino]-1H-pyridazin-6-one
CID 166132288
4-[1-[[5-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 174233070
4-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 167173463
5-(trifluoromethyl)-4-[2-[[3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl]phenoxy]methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one
CID 146218612
5-(trifluoromethyl)-4-[[(2S)-1-[[5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-yl]amino]-1H-pyridazin-6-one
CID 166132382
3-[[(3S)-3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]morpholin-4-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171493690
4-[(2S)-2-[[(3S)-3-[4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-3-hydroxypropoxy]methyl]pyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 175434789
4-[(2S)-2-[[3-[4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropoxy]methyl]pyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 163378556
2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]acetic acid
CID 146218550
4-[(2S)-2-(prop-2-ynoxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146218965
4-[2-[2-[4-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]morpholin-3-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 175827597
4-[2-[[3-[4-(5-methylpyrimidin-2-yl)piperazine-1-carbonyl]phenoxy]methyl]pyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146219236

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one (CID 166132284) is 5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCOCC2COCc2cc3n(n2)CCN(c2ncc(C(F)(F)F)cn2)C3)c1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one?
The InChIKey is KLWCREBTWASOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N8O3/c23-21(24,25)13-6-29-20(30-7-13)34-1-2-36-15(9-34)5-14(33-36)10-39-12-16-11-38-4-3-35(16)17-8-31-32-19(37)18(17)22(26,27)28/h5-8,16H,1-4,9-12H2,(H,32,37).
What are the key properties of 5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one?
5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one has a molecular weight of 560.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-4-[3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholin-4-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 166132284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).