2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol

C25H24N4O — CID 71277475

IUPAC2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol
SMILESCc1cccc(-c2cccc(CC(C)(O)Cc3cccc(-c4ccccn4)n3)n2)n1
InChIInChI=1S/C25H24N4O/c1-18-8-5-12-23(27-18)24-14-7-10-20(29-24)17-25(2,30)16-19-9-6-13-22(28-19)21-11-3-4-15-26-21/h3-15,30H,16-17H2,1-2H3
InChIKeyNRAIUENTTGYKMM-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.45
Rot. Bonds6

About 2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol

2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol (PubChem CID 71277475) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol
PubChem CID71277475
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol
SMILESCc1cccc(-c2cccc(CC(C)(O)Cc3cccc(-c4ccccn4)n3)n2)n1
InChIInChI=1S/C25H24N4O/c1-18-8-5-12-23(27-18)24-14-7-10-20(29-24)17-25(2,30)16-19-9-6-13-22(28-19)21-11-3-4-15-26-21/h3-15,30H,16-17H2,1-2H3
InChIKeyNRAIUENTTGYKMM-UHFFFAOYSA-N
XLogP4.45
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol?
The IUPAC name of 2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol (CID 71277475) is 2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol?
The canonical SMILES for 2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol is Cc1cccc(-c2cccc(CC(C)(O)Cc3cccc(-c4ccccn4)n3)n2)n1.
What is the InChIKey of 2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol?
The InChIKey is NRAIUENTTGYKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-18-8-5-12-23(27-18)24-14-7-10-20(29-24)17-25(2,30)16-19-9-6-13-22(28-19)21-11-3-4-15-26-21/h3-15,30H,16-17H2,1-2H3.
What are the key properties of 2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol?
2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol has a molecular weight of 396.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 71277475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).