2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C24H28N4O3 — CID 155451144

IUPAC2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C2CCOCC2)n1
InChIInChI=1S/C24H28N4O3/c1-16-4-5-20(23(27-16)17-8-12-30-13-9-17)31-19-7-11-26-22(15-19)28-18-6-10-25-21(14-18)24(2,3)29/h4-7,10-11,14-15,17,29H,8-9,12-13H2,1-3H3,(H,25,26,28)
InChIKeyALPYLLSEEGVQBS-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.84
Rot. Bonds6

About 2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155451144) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155451144
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C2CCOCC2)n1
InChIInChI=1S/C24H28N4O3/c1-16-4-5-20(23(27-16)17-8-12-30-13-9-17)31-19-7-11-26-22(15-19)28-18-6-10-25-21(14-18)24(2,3)29/h4-7,10-11,14-15,17,29H,8-9,12-13H2,1-3H3,(H,25,26,28)
InChIKeyALPYLLSEEGVQBS-UHFFFAOYSA-N
XLogP4.84
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155451144) is 2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is Cc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C2CCOCC2)n1.
What is the InChIKey of 2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is ALPYLLSEEGVQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16-4-5-20(23(27-16)17-8-12-30-13-9-17)31-19-7-11-26-22(15-19)28-18-6-10-25-21(14-18)24(2,3)29/h4-7,10-11,14-15,17,29H,8-9,12-13H2,1-3H3,(H,25,26,28).
What are the key properties of 2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 420.51 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[6-methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155451144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).