4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol

C20H20F2N2O2 — CID 171528499

IUPAC4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol
SMILESCc1c(F)cc(-c2ccc(C3(O)CCOCC3)c3nn(C)cc23)cc1F
InChIInChI=1S/C20H20F2N2O2/c1-12-17(21)9-13(10-18(12)22)14-3-4-16(19-15(14)11-24(2)23-19)20(25)5-7-26-8-6-20/h3-4,9-11,25H,5-8H2,1-2H3
InChIKeyWHJWLNPHMOQMRV-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.82
Rot. Bonds2

About 4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol

4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol (PubChem CID 171528499) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol.

Molecular Properties

Compound Name4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol
PubChem CID171528499
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol
SMILESCc1c(F)cc(-c2ccc(C3(O)CCOCC3)c3nn(C)cc23)cc1F
InChIInChI=1S/C20H20F2N2O2/c1-12-17(21)9-13(10-18(12)22)14-3-4-16(19-15(14)11-24(2)23-19)20(25)5-7-26-8-6-20/h3-4,9-11,25H,5-8H2,1-2H3
InChIKeyWHJWLNPHMOQMRV-UHFFFAOYSA-N
XLogP3.82
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol?
The IUPAC name of 4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol (CID 171528499) is 4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol.
What is the SMILES notation for 4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol?
The canonical SMILES for 4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol is Cc1c(F)cc(-c2ccc(C3(O)CCOCC3)c3nn(C)cc23)cc1F.
What is the InChIKey of 4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol?
The InChIKey is WHJWLNPHMOQMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-12-17(21)9-13(10-18(12)22)14-3-4-16(19-15(14)11-24(2)23-19)20(25)5-7-26-8-6-20/h3-4,9-11,25H,5-8H2,1-2H3.
What are the key properties of 4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol?
4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol has a molecular weight of 358.39 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-difluoro-4-methylphenyl)-2-methylindazol-7-yl]oxan-4-ol is sourced from PubChem (CID 171528499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).