1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol

C18H16F6N4O2 — CID 134611318

IUPAC1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)C(Nc1cc(C(F)F)cc2ncnn12)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C18H16F6N4O2/c1-17(2,29)15(9-3-4-12(11(19)5-9)30-18(22,23)24)27-14-7-10(16(20)21)6-13-25-8-26-28(13)14/h3-8,15-16,27,29H,1-2H3
InChIKeyCJZOIQXDEVHEJI-UHFFFAOYSA-N
MW434.34 g/mol
LogP4.63
Rot. Bonds6

About 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol

1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol (PubChem CID 134611318) has the molecular formula C18H16F6N4O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol
PubChem CID134611318
Molecular FormulaC18H16F6N4O2
Molecular Weight434.34 g/mol
Exact Mass434.12
IUPAC Name1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)C(Nc1cc(C(F)F)cc2ncnn12)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C18H16F6N4O2/c1-17(2,29)15(9-3-4-12(11(19)5-9)30-18(22,23)24)27-14-7-10(16(20)21)6-13-25-8-26-28(13)14/h3-8,15-16,27,29H,1-2H3
InChIKeyCJZOIQXDEVHEJI-UHFFFAOYSA-N
XLogP4.63
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol (CID 134611318) is 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol is CC(C)(O)C(Nc1cc(C(F)F)cc2ncnn12)c1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol?
The InChIKey is CJZOIQXDEVHEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N4O2/c1-17(2,29)15(9-3-4-12(11(19)5-9)30-18(22,23)24)27-14-7-10(16(20)21)6-13-25-8-26-28(13)14/h3-8,15-16,27,29H,1-2H3.
What are the key properties of 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol?
1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol has a molecular weight of 434.34 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 134611318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).