1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol

C24H25F2N3O — CID 59399081

IUPAC1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol
SMILESCC(C)(c1cccc(-c2ccc(F)nc2F)n1)c1cccc(C2(O)CCCCC2)n1
InChIInChI=1S/C24H25F2N3O/c1-23(2,19-10-7-11-20(28-19)24(30)14-4-3-5-15-24)18-9-6-8-17(27-18)16-12-13-21(25)29-22(16)26/h6-13,30H,3-5,14-15H2,1-2H3
InChIKeyOCMHYKUHDNCHQP-UHFFFAOYSA-N
MW409.48 g/mol
LogP5.29
Rot. Bonds4

About 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol

1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol (PubChem CID 59399081) has the molecular formula C24H25F2N3O and a molecular weight of 409.48 g/mol. Its IUPAC name is 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol
PubChem CID59399081
Molecular FormulaC24H25F2N3O
Molecular Weight409.48 g/mol
Exact Mass409.20
IUPAC Name1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol
SMILESCC(C)(c1cccc(-c2ccc(F)nc2F)n1)c1cccc(C2(O)CCCCC2)n1
InChIInChI=1S/C24H25F2N3O/c1-23(2,19-10-7-11-20(28-19)24(30)14-4-3-5-15-24)18-9-6-8-17(27-18)16-12-13-21(25)29-22(16)26/h6-13,30H,3-5,14-15H2,1-2H3
InChIKeyOCMHYKUHDNCHQP-UHFFFAOYSA-N
XLogP5.29
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol?
The IUPAC name of 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol (CID 59399081) is 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol?
The canonical SMILES for 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol is CC(C)(c1cccc(-c2ccc(F)nc2F)n1)c1cccc(C2(O)CCCCC2)n1.
What is the InChIKey of 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol?
The InChIKey is OCMHYKUHDNCHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O/c1-23(2,19-10-7-11-20(28-19)24(30)14-4-3-5-15-24)18-9-6-8-17(27-18)16-12-13-21(25)29-22(16)26/h6-13,30H,3-5,14-15H2,1-2H3.
What are the key properties of 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol?
1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol has a molecular weight of 409.48 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol is sourced from PubChem (CID 59399081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).