N-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide

C27H29N5O2 — CID 126601592

IUPACN-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide
SMILESCN1CCN(c2ccc(-c3ccn4c(C(Cc5ccccc5)C(=O)NO)cnc4c3)cc2)CC1
InChIInChI=1S/C27H29N5O2/c1-30-13-15-31(16-14-30)23-9-7-21(8-10-23)22-11-12-32-25(19-28-26(32)18-22)24(27(33)29-34)17-20-5-3-2-4-6-20/h2-12,18-19,24,34H,13-17H2,1H3,(H,29,33)
InChIKeyWCHZLGALFQRMOF-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.58
Rot. Bonds6

About N-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide

N-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide (PubChem CID 126601592) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide
PubChem CID126601592
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC NameN-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide
SMILESCN1CCN(c2ccc(-c3ccn4c(C(Cc5ccccc5)C(=O)NO)cnc4c3)cc2)CC1
InChIInChI=1S/C27H29N5O2/c1-30-13-15-31(16-14-30)23-9-7-21(8-10-23)22-11-12-32-25(19-28-26(32)18-22)24(27(33)29-34)17-20-5-3-2-4-6-20/h2-12,18-19,24,34H,13-17H2,1H3,(H,29,33)
InChIKeyWCHZLGALFQRMOF-UHFFFAOYSA-N
XLogP3.58
TPSA73.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 56973477
N-(cyanomethyl)-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3-phenylpropanamide
CID 10972182
3-(4-fluorophenyl)-7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridine
CID 56973461
1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
CID 139326849
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 134535517
3-[4-[4-[4-(4-methylpiperazin-1-yl)anilino]quinolin-6-yl]phenyl]propanoic acid
CID 11525592
(2S)-2-benzylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 52646335
1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen
CID 143706851
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 151646717
benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
CID 100942961

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide?
The IUPAC name of N-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide (CID 126601592) is N-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide is CN1CCN(c2ccc(-c3ccn4c(C(Cc5ccccc5)C(=O)NO)cnc4c3)cc2)CC1.
What is the InChIKey of N-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide?
The InChIKey is WCHZLGALFQRMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-30-13-15-31(16-14-30)23-9-7-21(8-10-23)22-11-12-32-25(19-28-26(32)18-22)24(27(33)29-34)17-20-5-3-2-4-6-20/h2-12,18-19,24,34H,13-17H2,1H3,(H,29,33).
What are the key properties of N-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide?
N-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide has a molecular weight of 455.56 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 126601592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).