2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

C24H20F6N6O2S — CID 71699182

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)N1CC2(C1)CN(c1nc(C3=NOC(c4c(F)cccc4F)C3)cs1)C2
InChIInChI=1S/C24H20F6N6O2S/c25-12-2-1-3-13(26)20(12)18-5-14(33-38-18)16-7-39-23(31-16)35-10-24(11-35)8-34(9-24)19(37)6-36-17(22(29)30)4-15(32-36)21(27)28/h1-4,7,18,21-22H,5-6,8-11H2
InChIKeyCPVKIIAOBHHLHF-UHFFFAOYSA-N
MW570.52 g/mol
LogP4.71
Rot. Bonds7

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (PubChem CID 71699182) has the molecular formula C24H20F6N6O2S and a molecular weight of 570.52 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
PubChem CID71699182
Molecular FormulaC24H20F6N6O2S
Molecular Weight570.52 g/mol
Exact Mass570.13
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)N1CC2(C1)CN(c1nc(C3=NOC(c4c(F)cccc4F)C3)cs1)C2
InChIInChI=1S/C24H20F6N6O2S/c25-12-2-1-3-13(26)20(12)18-5-14(33-38-18)16-7-39-23(31-16)35-10-24(11-35)8-34(9-24)19(37)6-36-17(22(29)30)4-15(32-36)21(27)28/h1-4,7,18,21-22H,5-6,8-11H2
InChIKeyCPVKIIAOBHHLHF-UHFFFAOYSA-N
XLogP4.71
TPSA75.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (CID 71699182) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is O=C(Cn1nc(C(F)F)cc1C(F)F)N1CC2(C1)CN(c1nc(C3=NOC(c4c(F)cccc4F)C3)cs1)C2.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The InChIKey is CPVKIIAOBHHLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N6O2S/c25-12-2-1-3-13(26)20(12)18-5-14(33-38-18)16-7-39-23(31-16)35-10-24(11-35)8-34(9-24)19(37)6-36-17(22(29)30)4-15(32-36)21(27)28/h1-4,7,18,21-22H,5-6,8-11H2.
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone has a molecular weight of 570.52 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[6-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is sourced from PubChem (CID 71699182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).