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

C19H19F6N7O2S — CID 166132382

IUPAC5-(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
SMILESC[C@@H](COCc1cc2n(n1)CCN(c1ncc(C(F)(F)F)s1)C2)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C19H19F6N7O2S/c1-10(28-13-5-27-29-16(33)15(13)19(23,24)25)8-34-9-11-4-12-7-31(2-3-32(12)30-11)17-26-6-14(35-17)18(20,21)22/h4-6,10H,2-3,7-9H2,1H3,(H2,28,29,33)/t10-/m0/s1
InChIKeyBXAAJDFCTRLMRV-JTQLQIEISA-N
MW523.46 g/mol
LogP3.50
Rot. Bonds7

About 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

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 (PubChem CID 166132382) has the molecular formula C19H19F6N7O2S and a molecular weight of 523.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID166132382
Molecular FormulaC19H19F6N7O2S
Molecular Weight523.46 g/mol
Exact Mass523.12
IUPAC Name5-(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
SMILESC[C@@H](COCc1cc2n(n1)CCN(c1ncc(C(F)(F)F)s1)C2)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C19H19F6N7O2S/c1-10(28-13-5-27-29-16(33)15(13)19(23,24)25)8-34-9-11-4-12-7-31(2-3-32(12)30-11)17-26-6-14(35-17)18(20,21)22/h4-6,10H,2-3,7-9H2,1H3,(H2,28,29,33)/t10-/m0/s1
InChIKeyBXAAJDFCTRLMRV-JTQLQIEISA-N
XLogP3.50
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](COCc1cc2n(n1)CCN(c1ncc(C(F)(F)F)s1)C2)Nc1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is BXAAJDFCTRLMRV-JTQLQIEISA-N. The full InChI is InChI=1S/C19H19F6N7O2S/c1-10(28-13-5-27-29-16(33)15(13)19(23,24)25)8-34-9-11-4-12-7-31(2-3-32(12)30-11)17-26-6-14(35-17)18(20,21)22/h4-6,10H,2-3,7-9H2,1H3,(H2,28,29,33)/t10-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 523.46 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166132382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).