3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole

C18H16N4 — CID 58911192

IUPAC3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole
SMILESC(=C1\CCCN=C1c1cccnc1)\c1[nH]nc2ccccc12
InChIInChI=1S/C18H16N4/c1-2-8-16-15(7-1)17(22-21-16)11-13-5-4-10-20-18(13)14-6-3-9-19-12-14/h1-3,6-9,11-12H,4-5,10H2,(H,21,22)/b13-11+
InChIKeyMWRNDTXMTFKRHQ-ACCUITESSA-N
MW288.35 g/mol
LogP3.62
Rot. Bonds2

About 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole

3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole (PubChem CID 58911192) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole.

Molecular Properties

Compound Name3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole
PubChem CID58911192
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole
SMILESC(=C1\CCCN=C1c1cccnc1)\c1[nH]nc2ccccc12
InChIInChI=1S/C18H16N4/c1-2-8-16-15(7-1)17(22-21-16)11-13-5-4-10-20-18(13)14-6-3-9-19-12-14/h1-3,6-9,11-12H,4-5,10H2,(H,21,22)/b13-11+
InChIKeyMWRNDTXMTFKRHQ-ACCUITESSA-N
XLogP3.62
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-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-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole?
The IUPAC name of 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole (CID 58911192) is 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole.
What is the SMILES notation for 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole?
The canonical SMILES for 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole is C(=C1\CCCN=C1c1cccnc1)\c1[nH]nc2ccccc12.
What is the InChIKey of 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole?
The InChIKey is MWRNDTXMTFKRHQ-ACCUITESSA-N. The full InChI is InChI=1S/C18H16N4/c1-2-8-16-15(7-1)17(22-21-16)11-13-5-4-10-20-18(13)14-6-3-9-19-12-14/h1-3,6-9,11-12H,4-5,10H2,(H,21,22)/b13-11+.
What are the key properties of 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole?
3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole has a molecular weight of 288.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole is sourced from PubChem (CID 58911192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).