3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

C29H30N4O2 — CID 73151542

IUPAC3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccn2c(CN3CCC(Cc4ccccc4)CC3)c(-c3ccccc3)nc2c1)NO
InChIInChI=1S/C29H30N4O2/c34-28(31-35)12-11-23-15-18-33-26(29(30-27(33)20-23)25-9-5-2-6-10-25)21-32-16-13-24(14-17-32)19-22-7-3-1-4-8-22/h1-12,15,18,20,24,35H,13-14,16-17,19,21H2,(H,31,34)
InChIKeyIQAREKMHZINKKU-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.97
Rot. Bonds7

About 3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 73151542) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID73151542
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccn2c(CN3CCC(Cc4ccccc4)CC3)c(-c3ccccc3)nc2c1)NO
InChIInChI=1S/C29H30N4O2/c34-28(31-35)12-11-23-15-18-33-26(29(30-27(33)20-23)25-9-5-2-6-10-25)21-32-16-13-24(14-17-32)19-22-7-3-1-4-8-22/h1-12,15,18,20,24,35H,13-14,16-17,19,21H2,(H,31,34)
InChIKeyIQAREKMHZINKKU-UHFFFAOYSA-N
XLogP4.97
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide 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-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 73151542) is 3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is O=C(C=Cc1ccn2c(CN3CCC(Cc4ccccc4)CC3)c(-c3ccccc3)nc2c1)NO.
What is the InChIKey of 3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is IQAREKMHZINKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c34-28(31-35)12-11-23-15-18-33-26(29(30-27(33)20-23)25-9-5-2-6-10-25)21-32-16-13-24(14-17-32)19-22-7-3-1-4-8-22/h1-12,15,18,20,24,35H,13-14,16-17,19,21H2,(H,31,34).
What are the key properties of 3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 466.59 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 73151542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).