1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone

C17H23N4O2+ — CID 9463048

IUPAC1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CC[NH+](C[C@H]2CCCO2)CC1
InChIInChI=1S/C17H22N4O2/c22-17(16-14-5-1-2-6-15(14)18-19-16)21-9-7-20(8-10-21)12-13-4-3-11-23-13/h1-2,5-6,13H,3-4,7-12H2,(H,18,19)/p+1/t13-/m1/s1
InChIKeyQKPBKYMYRDWSCB-CYBMUJFWSA-O
MW315.40 g/mol
LogP0.08
Rot. Bonds3

About 1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone

1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone (PubChem CID 9463048) has the molecular formula C17H23N4O2+ and a molecular weight of 315.40 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone
PubChem CID9463048
Molecular FormulaC17H23N4O2+
Molecular Weight315.40 g/mol
Exact Mass315.18
IUPAC Name1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CC[NH+](C[C@H]2CCCO2)CC1
InChIInChI=1S/C17H22N4O2/c22-17(16-14-5-1-2-6-15(14)18-19-16)21-9-7-20(8-10-21)12-13-4-3-11-23-13/h1-2,5-6,13H,3-4,7-12H2,(H,18,19)/p+1/t13-/m1/s1
InChIKeyQKPBKYMYRDWSCB-CYBMUJFWSA-O
XLogP0.08
TPSA62.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone 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 1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone (CID 9463048) is 1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone is O=C(c1n[nH]c2ccccc12)N1CC[NH+](C[C@H]2CCCO2)CC1.
What is the InChIKey of 1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone?
The InChIKey is QKPBKYMYRDWSCB-CYBMUJFWSA-O. The full InChI is InChI=1S/C17H22N4O2/c22-17(16-14-5-1-2-6-15(14)18-19-16)21-9-7-20(8-10-21)12-13-4-3-11-23-13/h1-2,5-6,13H,3-4,7-12H2,(H,18,19)/p+1/t13-/m1/s1.
What are the key properties of 1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone?
1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone has a molecular weight of 315.40 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone is sourced from PubChem (CID 9463048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).