3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole

C17H29N5 — CID 126892078

IUPAC3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCCN1CCN(C2CN(Cc3n[nH]c4c3CCCC4)C2)CC1
InChIInChI=1S/C17H29N5/c1-2-20-7-9-22(10-8-20)14-11-21(12-14)13-17-15-5-3-4-6-16(15)18-19-17/h14H,2-13H2,1H3,(H,18,19)
InChIKeyNJPRVXOKRICLMV-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.11
Rot. Bonds4

About 3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole

3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 126892078) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID126892078
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCCN1CCN(C2CN(Cc3n[nH]c4c3CCCC4)C2)CC1
InChIInChI=1S/C17H29N5/c1-2-20-7-9-22(10-8-20)14-11-21(12-14)13-17-15-5-3-4-6-16(15)18-19-17/h14H,2-13H2,1H3,(H,18,19)
InChIKeyNJPRVXOKRICLMV-UHFFFAOYSA-N
XLogP1.11
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole 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-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole (CID 126892078) is 3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole is CCN1CCN(C2CN(Cc3n[nH]c4c3CCCC4)C2)CC1.
What is the InChIKey of 3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is NJPRVXOKRICLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-2-20-7-9-22(10-8-20)14-11-21(12-14)13-17-15-5-3-4-6-16(15)18-19-17/h14H,2-13H2,1H3,(H,18,19).
What are the key properties of 3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 303.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 126892078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).