3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide

C21H26N6O3S — CID 42931448

IUPAC3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCN2CCN(Cc3cn4ccccc4n3)CC2)c1
InChIInChI=1S/C21H26N6O3S/c22-31(29,30)19-5-3-4-17(14-19)24-21(28)7-9-25-10-12-26(13-11-25)15-18-16-27-8-2-1-6-20(27)23-18/h1-6,8,14,16H,7,9-13,15H2,(H,24,28)(H2,22,29,30)
InChIKeyCTFDFQUDKKVQOU-UHFFFAOYSA-N
MW442.55 g/mol
LogP1.13
Rot. Bonds7

About 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide

3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide (PubChem CID 42931448) has the molecular formula C21H26N6O3S and a molecular weight of 442.55 g/mol. Its IUPAC name is 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
PubChem CID42931448
Molecular FormulaC21H26N6O3S
Molecular Weight442.55 g/mol
Exact Mass442.18
IUPAC Name3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCN2CCN(Cc3cn4ccccc4n3)CC2)c1
InChIInChI=1S/C21H26N6O3S/c22-31(29,30)19-5-3-4-17(14-19)24-21(28)7-9-25-10-12-26(13-11-25)15-18-16-27-8-2-1-6-20(27)23-18/h1-6,8,14,16H,7,9-13,15H2,(H,24,28)(H2,22,29,30)
InChIKeyCTFDFQUDKKVQOU-UHFFFAOYSA-N
XLogP1.13
TPSA113.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide with MolForge

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Related Compounds

3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 55482906
2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 42889667
3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 56526295
3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119919395
methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
CID 94393972
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 134011276
N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500788
3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 56526547
methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate
CID 78836243
ethyl 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetate
CID 134031725
3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide
CID 86787334
N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide
CID 118614406

Frequently Asked Questions

What is the IUPAC name of 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide (CID 42931448) is 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide is NS(=O)(=O)c1cccc(NC(=O)CCN2CCN(Cc3cn4ccccc4n3)CC2)c1.
What is the InChIKey of 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is CTFDFQUDKKVQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S/c22-31(29,30)19-5-3-4-17(14-19)24-21(28)7-9-25-10-12-26(13-11-25)15-18-16-27-8-2-1-6-20(27)23-18/h1-6,8,14,16H,7,9-13,15H2,(H,24,28)(H2,22,29,30).
What are the key properties of 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 442.55 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 42931448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).