(2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

C20H18F2N6O — CID 70311895

IUPAC(2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(c1ccc(-n2ccnc2)cn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N6O/c1-14(19-5-3-16(9-25-19)27-7-6-23-12-27)20(29,10-28-13-24-11-26-28)17-4-2-15(21)8-18(17)22/h2-9,11-14,29H,10H2,1H3/t14?,20-/m1/s1
InChIKeyAQTYOOGPQOPXRY-YBMSBYLISA-N
MW396.40 g/mol
LogP2.83
Rot. Bonds6

About (2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

(2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 70311895) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID70311895
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name(2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(c1ccc(-n2ccnc2)cn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N6O/c1-14(19-5-3-16(9-25-19)27-7-6-23-12-27)20(29,10-28-13-24-11-26-28)17-4-2-15(21)8-18(17)22/h2-9,11-14,29H,10H2,1H3/t14?,20-/m1/s1
InChIKeyAQTYOOGPQOPXRY-YBMSBYLISA-N
XLogP2.83
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S)-2-(2,4-difluorophenyl)-3-(4-imidazol-1-ylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 57053878
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
(2S,3R)-2-(2,4-difluorophenyl)-3-[5-(2,5-dimethyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 57317683
2-(2,4-difluorophenyl)-3-pyridazin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 18956543
(2S,3R)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[4-(1,2,4-triazol-4-yl)phenyl]butan-2-ol
CID 56992565
(2R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 16760226
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;methane
CID 164966087
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;hydrochloride
CID 66546618
(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 10588875
(2R,3R)-2-(2,4-difluorophenyl)-3-(methylsulfonimidoyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 25046791
(2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methylpyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 102357495

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of (2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 70311895) is (2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for (2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for (2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol is CC(c1ccc(-n2ccnc2)cn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of (2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is AQTYOOGPQOPXRY-YBMSBYLISA-N. The full InChI is InChI=1S/C20H18F2N6O/c1-14(19-5-3-16(9-25-19)27-7-6-23-12-27)20(29,10-28-13-24-11-26-28)17-4-2-15(21)8-18(17)22/h2-9,11-14,29H,10H2,1H3/t14?,20-/m1/s1.
What are the key properties of (2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
(2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 396.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 70311895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).