2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol

C34H30F4N8O2 — CID 57065027

IUPAC2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol
SMILESCC(c1ccccn1)C(O)(c1ccc(F)cc1F)C(CC(c1ccncc1)C(O)(Cn1cncn1)c1ccc(F)cc1F)n1cncn1
InChIInChI=1S/C34H30F4N8O2/c1-22(31-4-2-3-11-42-31)34(48,27-8-6-25(36)15-30(27)38)32(46-21-41-19-44-46)16-28(23-9-12-39-13-10-23)33(47,17-45-20-40-18-43-45)26-7-5-24(35)14-29(26)37/h2-15,18-22,28,32,47-48H,16-17H2,1H3
InChIKeyILQFFZBBXZIVMZ-UHFFFAOYSA-N
MW658.66 g/mol
LogP5.21
Rot. Bonds12

About 2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol

2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol (PubChem CID 57065027) has the molecular formula C34H30F4N8O2 and a molecular weight of 658.66 g/mol. Its IUPAC name is 2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol.

Molecular Properties

Compound Name2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol
PubChem CID57065027
Molecular FormulaC34H30F4N8O2
Molecular Weight658.66 g/mol
Exact Mass658.24
IUPAC Name2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol
SMILESCC(c1ccccn1)C(O)(c1ccc(F)cc1F)C(CC(c1ccncc1)C(O)(Cn1cncn1)c1ccc(F)cc1F)n1cncn1
InChIInChI=1S/C34H30F4N8O2/c1-22(31-4-2-3-11-42-31)34(48,27-8-6-25(36)15-30(27)38)32(46-21-41-19-44-46)16-28(23-9-12-39-13-10-23)33(47,17-45-20-40-18-43-45)26-7-5-24(35)14-29(26)37/h2-15,18-22,28,32,47-48H,16-17H2,1H3
InChIKeyILQFFZBBXZIVMZ-UHFFFAOYSA-N
XLogP5.21
TPSA127.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.66
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol with MolForge

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Launch Full Analysis

Related Compounds

2-(2,4-difluorophenyl)-3-pyridazin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 18956543
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
4-[2-[6-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-7-(2,4-difluorophenyl)-3,7-dihydroxy-4,8-bis(1,2,4-triazol-1-yl)-3-(2,4,5-trifluorophenyl)octan-2-yl]-1,3-thiazol-4-yl]benzonitrile
CID 91593368
(2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 70311895
(2R,3S)-2-(2,4-difluorophenyl)-3-phenylmethoxy-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 139974274
(1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
CID 6482139
3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoic acid
CID 15196322
(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 10588875
(2S,3S)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-4-trityloxybutan-2-ol
CID 10744649
(2R,3R)-2-(2,4-difluorophenyl)-3-(3-phenylpyrazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67148076
(2R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 16760226
4-[6-[(2R,3S)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-pyridinyl]-2-methylbut-3-en-2-ol
CID 57127144

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol?
The IUPAC name of 2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol (CID 57065027) is 2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol.
What is the SMILES notation for 2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol?
The canonical SMILES for 2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol is CC(c1ccccn1)C(O)(c1ccc(F)cc1F)C(CC(c1ccncc1)C(O)(Cn1cncn1)c1ccc(F)cc1F)n1cncn1.
What is the InChIKey of 2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol?
The InChIKey is ILQFFZBBXZIVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F4N8O2/c1-22(31-4-2-3-11-42-31)34(48,27-8-6-25(36)15-30(27)38)32(46-21-41-19-44-46)16-28(23-9-12-39-13-10-23)33(47,17-45-20-40-18-43-45)26-7-5-24(35)14-29(26)37/h2-15,18-22,28,32,47-48H,16-17H2,1H3.
What are the key properties of 2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol?
2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol has a molecular weight of 658.66 g/mol, XLogP of 5.21, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol is sourced from PubChem (CID 57065027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).