(2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol

C19H17F2N5O — CID 16727944

IUPAC(2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESC[C@@H](n1ncc2ccccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2N5O/c1-13(26-18-5-3-2-4-14(18)9-23-26)19(27,10-25-12-22-11-24-25)16-7-6-15(20)8-17(16)21/h2-9,11-13,27H,10H2,1H3/t13-,19-/m1/s1
InChIKeyYKWWOKMXGYYNMA-BFUOFWGJSA-N
MW369.38 g/mol
LogP3.06
Rot. Bonds5

About (2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol

(2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 16727944) has the molecular formula C19H17F2N5O and a molecular weight of 369.38 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID16727944
Molecular FormulaC19H17F2N5O
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name(2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESC[C@@H](n1ncc2ccccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2N5O/c1-13(26-18-5-3-2-4-14(18)9-23-26)19(27,10-25-12-22-11-24-25)16-7-6-15(20)8-17(16)21/h2-9,11-13,27H,10H2,1H3/t13-,19-/m1/s1
InChIKeyYKWWOKMXGYYNMA-BFUOFWGJSA-N
XLogP3.06
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 16727944) is (2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for (2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for (2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol is C[C@@H](n1ncc2ccccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of (2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is YKWWOKMXGYYNMA-BFUOFWGJSA-N. The full InChI is InChI=1S/C19H17F2N5O/c1-13(26-18-5-3-2-4-14(18)9-23-26)19(27,10-25-12-22-11-24-25)16-7-6-15(20)8-17(16)21/h2-9,11-13,27H,10H2,1H3/t13-,19-/m1/s1.
What are the key properties of (2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol?
(2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 369.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 16727944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).