2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C21H30N4O — CID 118706776

IUPAC2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)N1CCN(C2CCCn3nc(COc4ccccc4)cc32)CC1
InChIInChI=1S/C21H30N4O/c1-17(2)23-11-13-24(14-12-23)20-9-6-10-25-21(20)15-18(22-25)16-26-19-7-4-3-5-8-19/h3-5,7-8,15,17,20H,6,9-14,16H2,1-2H3
InChIKeyDIYRDYBGBSZOCO-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.32
Rot. Bonds5

About 2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 118706776) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID118706776
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)N1CCN(C2CCCn3nc(COc4ccccc4)cc32)CC1
InChIInChI=1S/C21H30N4O/c1-17(2)23-11-13-24(14-12-23)20-9-6-10-25-21(20)15-18(22-25)16-26-19-7-4-3-5-8-19/h3-5,7-8,15,17,20H,6,9-14,16H2,1-2H3
InChIKeyDIYRDYBGBSZOCO-UHFFFAOYSA-N
XLogP3.32
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine 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-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 118706776) is 2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CC(C)N1CCN(C2CCCn3nc(COc4ccccc4)cc32)CC1.
What is the InChIKey of 2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is DIYRDYBGBSZOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-17(2)23-11-13-24(14-12-23)20-9-6-10-25-21(20)15-18(22-25)16-26-19-7-4-3-5-8-19/h3-5,7-8,15,17,20H,6,9-14,16H2,1-2H3.
What are the key properties of 2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 354.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 118706776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).