N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C26H35N5O5S — CID 123862370

IUPACN-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)(C)OCOCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)CC1
InChIInChI=1S/C26H35N5O5S/c1-26(2,3)36-19-35-18-29-22-10-13-31(14-11-22)37(33,34)23-7-4-20(5-8-23)16-28-25(32)21-6-9-24-27-12-15-30(24)17-21/h4-9,12,15,17,22,29H,10-11,13-14,16,18-19H2,1-3H3,(H,28,32)
InChIKeyCPZDCWNYSMSQCY-UHFFFAOYSA-N
MW529.66 g/mol
LogP2.75
Rot. Bonds10

About N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 123862370) has the molecular formula C26H35N5O5S and a molecular weight of 529.66 g/mol. Its IUPAC name is N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID123862370
Molecular FormulaC26H35N5O5S
Molecular Weight529.66 g/mol
Exact Mass529.24
IUPAC NameN-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)(C)OCOCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)CC1
InChIInChI=1S/C26H35N5O5S/c1-26(2,3)36-19-35-18-29-22-10-13-31(14-11-22)37(33,34)23-7-4-20(5-8-23)16-28-25(32)21-6-9-24-27-12-15-30(24)17-21/h4-9,12,15,17,22,29H,10-11,13-14,16,18-19H2,1-3H3,(H,28,32)
InChIKeyCPZDCWNYSMSQCY-UHFFFAOYSA-N
XLogP2.75
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.66
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide 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 N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 123862370) is N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is CC(C)(C)OCOCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)CC1.
What is the InChIKey of N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is CPZDCWNYSMSQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O5S/c1-26(2,3)36-19-35-18-29-22-10-13-31(14-11-22)37(33,34)23-7-4-20(5-8-23)16-28-25(32)21-6-9-24-27-12-15-30(24)17-21/h4-9,12,15,17,22,29H,10-11,13-14,16,18-19H2,1-3H3,(H,28,32).
What are the key properties of N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 529.66 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 123862370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).