5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H21F3N8O3 — CID 171579125

IUPAC5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cnc(N2CCn3nc(COC[C@H](C)Nc4cn[nH]c(=O)c4C(F)(F)F)cc3C2=O)nc1
InChIInChI=1S/C20H21F3N8O3/c1-11-6-24-19(25-7-11)30-3-4-31-15(18(30)33)5-13(29-31)10-34-9-12(2)27-14-8-26-28-17(32)16(14)20(21,22)23/h5-8,12H,3-4,9-10H2,1-2H3,(H2,27,28,32)/t12-/m0/s1
InChIKeyHUIHDDZSLGXBFB-LBPRGKRZSA-N
MW478.44 g/mol
LogP1.76
Rot. Bonds7

About 5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 171579125) has the molecular formula C20H21F3N8O3 and a molecular weight of 478.44 g/mol. Its IUPAC name is 5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID171579125
Molecular FormulaC20H21F3N8O3
Molecular Weight478.44 g/mol
Exact Mass478.17
IUPAC Name5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cnc(N2CCn3nc(COC[C@H](C)Nc4cn[nH]c(=O)c4C(F)(F)F)cc3C2=O)nc1
InChIInChI=1S/C20H21F3N8O3/c1-11-6-24-19(25-7-11)30-3-4-31-15(18(30)33)5-13(29-31)10-34-9-12(2)27-14-8-26-28-17(32)16(14)20(21,22)23/h5-8,12H,3-4,9-10H2,1-2H3,(H2,27,28,32)/t12-/m0/s1
InChIKeyHUIHDDZSLGXBFB-LBPRGKRZSA-N
XLogP1.76
TPSA130.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

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Related Compounds

(S)-4-(trifluoromethyl)-5-((1-((5-(5-(5-(trifluoromethyl)pyrimidin-2-yl)-4,5,6,7-tetrahydro pyrazolo[1,5-a]pyrazin-2-yl)methoxy)propan-2-yl)amino)pyridazin-3(2H)-one
CID 171918908
4-(trifluoromethyl)-5-[[(2S)-1-[(1S)-1-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethoxy]propan-2-yl]amino]diazinan-3-one
CID 171918909
4-(trifluoromethyl)-5-[[(2S)-1-[(1R)-1-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethoxy]propan-2-yl]amino]diazinan-3-one
CID 171918910
4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 166132215
4-[[(2S)-1-[[5-(5-cyclopropylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 166132219
4-[[(2S)-1-[[3-chloro-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 166132221
5-(trifluoromethyl)-4-[[(2S)-1-[(1R)-1-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethoxy]propan-2-yl]amino]-1H-pyridazin-6-one
CID 166132224
5-cyclopropyl-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 166132246
5-(trifluoromethyl)-4-[(3S)-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 166132263
5-(trifluoromethyl)-4-[[(2S)-1-[[3-(trifluoromethyl)-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 166132267
2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 166132274
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]oxy-1H-pyridazin-6-one
CID 166132277

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 171579125) is 5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cnc(N2CCn3nc(COC[C@H](C)Nc4cn[nH]c(=O)c4C(F)(F)F)cc3C2=O)nc1.
What is the InChIKey of 5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HUIHDDZSLGXBFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21F3N8O3/c1-11-6-24-19(25-7-11)30-3-4-31-15(18(30)33)5-13(29-31)10-34-9-12(2)27-14-8-26-28-17(32)16(14)20(21,22)23/h5-8,12H,3-4,9-10H2,1-2H3,(H2,27,28,32)/t12-/m0/s1.
What are the key properties of 5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 478.44 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylpyrimidin-2-yl)-2-[[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 171579125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).