(3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone

C21H16N4O — CID 22978146

IUPAC(3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone
SMILESNc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1
InChIInChI=1S/C21H16N4O/c22-16-5-3-4-14(12-16)21(26)15-7-9-18-19(24-25-20(18)13-15)10-8-17-6-1-2-11-23-17/h1-13H,22H2,(H,24,25)/b10-8+
InChIKeyPTSYUODRFFXLHS-CSKARUKUSA-N
MW340.39 g/mol
LogP3.94
Rot. Bonds4

About (3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone

(3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone (PubChem CID 22978146) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is (3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone.

Molecular Properties

Compound Name(3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone
PubChem CID22978146
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name(3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone
SMILESNc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1
InChIInChI=1S/C21H16N4O/c22-16-5-3-4-14(12-16)21(26)15-7-9-18-19(24-25-20(18)13-15)10-8-17-6-1-2-11-23-17/h1-13H,22H2,(H,24,25)/b10-8+
InChIKeyPTSYUODRFFXLHS-CSKARUKUSA-N
XLogP3.94
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-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 (3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone?
The IUPAC name of (3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone (CID 22978146) is (3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone.
What is the SMILES notation for (3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone?
The canonical SMILES for (3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone is Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.
What is the InChIKey of (3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone?
The InChIKey is PTSYUODRFFXLHS-CSKARUKUSA-N. The full InChI is InChI=1S/C21H16N4O/c22-16-5-3-4-14(12-16)21(26)15-7-9-18-19(24-25-20(18)13-15)10-8-17-6-1-2-11-23-17/h1-13H,22H2,(H,24,25)/b10-8+.
What are the key properties of (3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone?
(3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone has a molecular weight of 340.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone is sourced from PubChem (CID 22978146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).