(2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

C20H17Cl2F2N5O — CID 68644657

IUPAC(2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCc1nn([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C20H17Cl2F2N5O/c1-11-15-5-13(21)6-17(22)19(15)29(27-11)12(2)20(30,8-28-10-25-9-26-28)16-4-3-14(23)7-18(16)24/h3-7,9-10,12,30H,8H2,1-2H3/t12-,20-/m1/s1
InChIKeyAMAIVOCIRZGJAB-MPBGBICISA-N
MW452.29 g/mol
LogP4.67
Rot. Bonds5

About (2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

(2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 68644657) has the molecular formula C20H17Cl2F2N5O and a molecular weight of 452.29 g/mol. Its IUPAC name is (2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID68644657
Molecular FormulaC20H17Cl2F2N5O
Molecular Weight452.29 g/mol
Exact Mass451.08
IUPAC Name(2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCc1nn([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C20H17Cl2F2N5O/c1-11-15-5-13(21)6-17(22)19(15)29(27-11)12(2)20(30,8-28-10-25-9-26-28)16-4-3-14(23)7-18(16)24/h3-7,9-10,12,30H,8H2,1-2H3/t12-,20-/m1/s1
InChIKeyAMAIVOCIRZGJAB-MPBGBICISA-N
XLogP4.67
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-3-(5,7-dichloro-3-ethylindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644644
(2R,3R)-3-(5-chloro-7-fluoro-3-methylindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644553
(2R,3R)-3-(5-chloro-3-methylindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 11998992
(2R,3R)-2-(2,4-difluorophenyl)-3-(3-methylindazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644429
(2R,3R)-3-(6-chloro-3-ethyl-7-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644403
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
(2R,3R)-3-(5,6-dichloro-3-ethylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644910
(2R,3R)-3-[3-(4-chlorophenyl)pyrazol-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67148426
(2R,3R)-2-(2,4-difluorophenyl)-3-(3-methyl-5-phenylpyrazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67148491
(2R,3R)-2-(2,4-difluorophenyl)-3-(3-ethylindazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644859
(2R,3R)-2-(2,4-difluorophenyl)-3-(3-ethyl-5-fluoro-6-methylindazol-2-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644662
(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 10588875

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of (2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 68644657) is (2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for (2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for (2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol is Cc1nn([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)c2c(Cl)cc(Cl)cc12.
What is the InChIKey of (2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is AMAIVOCIRZGJAB-MPBGBICISA-N. The full InChI is InChI=1S/C20H17Cl2F2N5O/c1-11-15-5-13(21)6-17(22)19(15)29(27-11)12(2)20(30,8-28-10-25-9-26-28)16-4-3-14(23)7-18(16)24/h3-7,9-10,12,30H,8H2,1-2H3/t12-,20-/m1/s1.
What are the key properties of (2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
(2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 452.29 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(5,7-dichloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 68644657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).