1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

C19H21N5O2 — CID 71724975

IUPAC1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(CCOc2cccnc2)CC1
InChIInChI=1S/C19H21N5O2/c25-19(18-16-5-1-2-6-17(16)21-22-18)24-10-8-23(9-11-24)12-13-26-15-4-3-7-20-14-15/h1-7,14H,8-13H2,(H,21,22)
InChIKeyOBZMXWUQHYLQEP-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.79
Rot. Bonds5

About 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 71724975) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
PubChem CID71724975
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(CCOc2cccnc2)CC1
InChIInChI=1S/C19H21N5O2/c25-19(18-16-5-1-2-6-17(16)21-22-18)24-10-8-23(9-11-24)12-13-26-15-4-3-7-20-14-15/h1-7,14H,8-13H2,(H,21,22)
InChIKeyOBZMXWUQHYLQEP-UHFFFAOYSA-N
XLogP1.79
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-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-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (CID 71724975) is 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is O=C(c1n[nH]c2ccccc12)N1CCN(CCOc2cccnc2)CC1.
What is the InChIKey of 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is OBZMXWUQHYLQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-19(18-16-5-1-2-6-17(16)21-22-18)24-10-8-23(9-11-24)12-13-26-15-4-3-7-20-14-15/h1-7,14H,8-13H2,(H,21,22).
What are the key properties of 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71724975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).