4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid

C24H27N5O6S — CID 140671009

IUPAC4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOC3(CCCN(C(=O)O)C3)C2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C24H27N5O6S/c30-22(19-4-7-21-25-9-11-27(21)15-19)26-14-18-2-5-20(6-3-18)36(33,34)29-12-13-35-24(17-29)8-1-10-28(16-24)23(31)32/h2-7,9,11,15H,1,8,10,12-14,16-17H2,(H,26,30)(H,31,32)
InChIKeyJNGRYGUINKPTNJ-UHFFFAOYSA-N
MW513.58 g/mol
LogP1.80
Rot. Bonds5

About 4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid

4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid (PubChem CID 140671009) has the molecular formula C24H27N5O6S and a molecular weight of 513.58 g/mol. Its IUPAC name is 4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid
PubChem CID140671009
Molecular FormulaC24H27N5O6S
Molecular Weight513.58 g/mol
Exact Mass513.17
IUPAC Name4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOC3(CCCN(C(=O)O)C3)C2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C24H27N5O6S/c30-22(19-4-7-21-25-9-11-27(21)15-19)26-14-18-2-5-20(6-3-18)36(33,34)29-12-13-35-24(17-29)8-1-10-28(16-24)23(31)32/h2-7,9,11,15H,1,8,10,12-14,16-17H2,(H,26,30)(H,31,32)
InChIKeyJNGRYGUINKPTNJ-UHFFFAOYSA-N
XLogP1.80
TPSA133.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.58
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid with MolForge

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Related Compounds

N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 153192558
N-[[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012821
(3aR,6aR)-1-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid
CID 140671021
tert-butyl 3-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 71696727
N-[[4-[[(1S,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012584
N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 123862370
1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 134077394
N-[[4-[[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012840
tert-butyl 2-[[[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonylamino]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 71736895
4-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 66614342
N-[[4-[5-(dimethylamino)pyrazin-2-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66634626
N-[[4-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66610408

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid?
The IUPAC name of 4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid (CID 140671009) is 4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid.
What is the SMILES notation for 4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid?
The canonical SMILES for 4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid is O=C(NCc1ccc(S(=O)(=O)N2CCOC3(CCCN(C(=O)O)C3)C2)cc1)c1ccc2nccn2c1.
What is the InChIKey of 4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid?
The InChIKey is JNGRYGUINKPTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O6S/c30-22(19-4-7-21-25-9-11-27(21)15-19)26-14-18-2-5-20(6-3-18)36(33,34)29-12-13-35-24(17-29)8-1-10-28(16-24)23(31)32/h2-7,9,11,15H,1,8,10,12-14,16-17H2,(H,26,30)(H,31,32).
What are the key properties of 4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid?
4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid has a molecular weight of 513.58 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid is sourced from PubChem (CID 140671009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).