1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol

C24H28N4O3 — CID 71061916

IUPAC1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(OCC(O)CN2CCN(c3ncccc3-c3cccnc3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-30-21-6-8-22(9-7-21)31-18-20(29)17-27-12-14-28(15-13-27)24-23(5-3-11-26-24)19-4-2-10-25-16-19/h2-11,16,20,29H,12-15,17-18H2,1H3
InChIKeyCYRLZEUSOJUCDX-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.71
Rot. Bonds8

About 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol

1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol (PubChem CID 71061916) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol
PubChem CID71061916
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(OCC(O)CN2CCN(c3ncccc3-c3cccnc3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-30-21-6-8-22(9-7-21)31-18-20(29)17-27-12-14-28(15-13-27)24-23(5-3-11-26-24)19-4-2-10-25-16-19/h2-11,16,20,29H,12-15,17-18H2,1H3
InChIKeyCYRLZEUSOJUCDX-UHFFFAOYSA-N
XLogP2.71
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]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 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol (CID 71061916) is 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol is COc1ccc(OCC(O)CN2CCN(c3ncccc3-c3cccnc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol?
The InChIKey is CYRLZEUSOJUCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-30-21-6-8-22(9-7-21)31-18-20(29)17-27-12-14-28(15-13-27)24-23(5-3-11-26-24)19-4-2-10-25-16-19/h2-11,16,20,29H,12-15,17-18H2,1H3.
What are the key properties of 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol?
1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol has a molecular weight of 420.51 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 71061916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).