4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine

C22H23N5O — CID 171349669

IUPAC4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine
SMILESO=NC1C=c2cc/c(=c3\nc(C4CCNCC4)[nH]c3=C3C=CNC=C3)cc2C1
InChIInChI=1S/C22H23N5O/c28-27-19-12-16-1-2-17(11-18(16)13-19)21-20(14-3-7-23-8-4-14)25-22(26-21)15-5-9-24-10-6-15/h1-4,7-8,11-12,15,19,23-24H,5-6,9-10,13H2,(H,25,26)/b21-17+
InChIKeyBYFHOKFVPQCBBK-HEHNFIMWSA-N
MW373.46 g/mol
LogP1.42
Rot. Bonds2

About 4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine

4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine (PubChem CID 171349669) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine.

Molecular Properties

Compound Name4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine
PubChem CID171349669
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine
SMILESO=NC1C=c2cc/c(=c3\nc(C4CCNCC4)[nH]c3=C3C=CNC=C3)cc2C1
InChIInChI=1S/C22H23N5O/c28-27-19-12-16-1-2-17(11-18(16)13-19)21-20(14-3-7-23-8-4-14)25-22(26-21)15-5-9-24-10-6-15/h1-4,7-8,11-12,15,19,23-24H,5-6,9-10,13H2,(H,25,26)/b21-17+
InChIKeyBYFHOKFVPQCBBK-HEHNFIMWSA-N
XLogP1.42
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine 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 4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine?
The IUPAC name of 4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine (CID 171349669) is 4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine.
What is the SMILES notation for 4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine?
The canonical SMILES for 4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine is O=NC1C=c2cc/c(=c3\nc(C4CCNCC4)[nH]c3=C3C=CNC=C3)cc2C1.
What is the InChIKey of 4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine?
The InChIKey is BYFHOKFVPQCBBK-HEHNFIMWSA-N. The full InChI is InChI=1S/C22H23N5O/c28-27-19-12-16-1-2-17(11-18(16)13-19)21-20(14-3-7-23-8-4-14)25-22(26-21)15-5-9-24-10-6-15/h1-4,7-8,11-12,15,19,23-24H,5-6,9-10,13H2,(H,25,26)/b21-17+.
What are the key properties of 4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine?
4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine has a molecular weight of 373.46 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine is sourced from PubChem (CID 171349669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).