(1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol

C20H28N2O2 — CID 11151607

IUPAC(1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)[C@H](O)c1cccc(-c2cccc([C@@H](O)C(C)(C)C)n2)n1
InChIInChI=1S/C20H28N2O2/c1-19(2,3)17(23)15-11-7-9-13(21-15)14-10-8-12-16(22-14)18(24)20(4,5)6/h7-12,17-18,23-24H,1-6H3/t17-,18-/m1/s1
InChIKeyCAOIUNFSPMSYIQ-QZTJIDSGSA-N
MW328.46 g/mol
LogP4.30
Rot. Bonds3

About (1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol

(1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol (PubChem CID 11151607) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol
PubChem CID11151607
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)[C@H](O)c1cccc(-c2cccc([C@@H](O)C(C)(C)C)n2)n1
InChIInChI=1S/C20H28N2O2/c1-19(2,3)17(23)15-11-7-9-13(21-15)14-10-8-12-16(22-14)18(24)20(4,5)6/h7-12,17-18,23-24H,1-6H3/t17-,18-/m1/s1
InChIKeyCAOIUNFSPMSYIQ-QZTJIDSGSA-N
XLogP4.30
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol?
The IUPAC name of (1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol (CID 11151607) is (1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for (1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol is CC(C)(C)[C@H](O)c1cccc(-c2cccc([C@@H](O)C(C)(C)C)n2)n1.
What is the InChIKey of (1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol?
The InChIKey is CAOIUNFSPMSYIQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-19(2,3)17(23)15-11-7-9-13(21-15)14-10-8-12-16(22-14)18(24)20(4,5)6/h7-12,17-18,23-24H,1-6H3/t17-,18-/m1/s1.
What are the key properties of (1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol?
(1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol has a molecular weight of 328.46 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 11151607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).