3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol

C22H28N4O2 — CID 25010080

IUPAC3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol
SMILESOCCCOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C22H28N4O2/c27-10-3-11-28-21-6-1-4-17(12-21)15-26-9-2-5-20(16-26)24-19-7-8-22-18(13-19)14-23-25-22/h1,4,6-8,12-14,20,24,27H,2-3,5,9-11,15-16H2,(H,23,25)
InChIKeyLWKUYNWGILHOCX-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.40
Rot. Bonds8

About 3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol

3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol (PubChem CID 25010080) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol
PubChem CID25010080
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol
SMILESOCCCOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C22H28N4O2/c27-10-3-11-28-21-6-1-4-17(12-21)15-26-9-2-5-20(16-26)24-19-7-8-22-18(13-19)14-23-25-22/h1,4,6-8,12-14,20,24,27H,2-3,5,9-11,15-16H2,(H,23,25)
InChIKeyLWKUYNWGILHOCX-UHFFFAOYSA-N
XLogP3.40
TPSA73.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-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 3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol?
The IUPAC name of 3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol (CID 25010080) is 3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol.
What is the SMILES notation for 3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol?
The canonical SMILES for 3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol is OCCCOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of 3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol?
The InChIKey is LWKUYNWGILHOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-10-3-11-28-21-6-1-4-17(12-21)15-26-9-2-5-20(16-26)24-19-7-8-22-18(13-19)14-23-25-22/h1,4,6-8,12-14,20,24,27H,2-3,5,9-11,15-16H2,(H,23,25).
What are the key properties of 3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol?
3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol has a molecular weight of 380.49 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol is sourced from PubChem (CID 25010080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).