5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine

C22H27ClN4 — CID 145141486

IUPAC5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine
SMILESCC.CC.Cc1cccnc1.Clc1ncccc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C12H8ClN3.C6H7N.2C2H6/c13-12-10(2-1-5-14-12)8-3-4-11-9(6-8)7-15-16-11;1-6-3-2-4-7-5-6;2*1-2/h1-7H,(H,15,16);2-5H,1H3;2*1-2H3
InChIKeyNDNDMBSCPXXXCX-UHFFFAOYSA-N
MW382.94 g/mol
LogP6.72
Rot. Bonds1

About 5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine

5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine (PubChem CID 145141486) has the molecular formula C22H27ClN4 and a molecular weight of 382.94 g/mol. Its IUPAC name is 5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine.

Molecular Properties

Compound Name5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine
PubChem CID145141486
Molecular FormulaC22H27ClN4
Molecular Weight382.94 g/mol
Exact Mass382.19
IUPAC Name5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine
SMILESCC.CC.Cc1cccnc1.Clc1ncccc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C12H8ClN3.C6H7N.2C2H6/c13-12-10(2-1-5-14-12)8-3-4-11-9(6-8)7-15-16-11;1-6-3-2-4-7-5-6;2*1-2/h1-7H,(H,15,16);2-5H,1H3;2*1-2H3
InChIKeyNDNDMBSCPXXXCX-UHFFFAOYSA-N
XLogP6.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.94
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine 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 5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine?
The IUPAC name of 5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine (CID 145141486) is 5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine.
What is the SMILES notation for 5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine?
The canonical SMILES for 5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine is CC.CC.Cc1cccnc1.Clc1ncccc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine?
The InChIKey is NDNDMBSCPXXXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3.C6H7N.2C2H6/c13-12-10(2-1-5-14-12)8-3-4-11-9(6-8)7-15-16-11;1-6-3-2-4-7-5-6;2*1-2/h1-7H,(H,15,16);2-5H,1H3;2*1-2H3.
What are the key properties of 5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine?
5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine has a molecular weight of 382.94 g/mol, XLogP of 6.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-pyridinyl)-1H-indazole;ethane;3-methylpyridine is sourced from PubChem (CID 145141486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).