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

C22H24N4O5S — CID 90012584

IUPACN-[[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
SMILESO=C(NCc1ccc(S(=O)(=O)N2[C@@H]3COC[C@H]2CC(O)C3)cc1)c1ccc2nccn2c1
InChIInChI=1S/C22H24N4O5S/c27-19-9-17-13-31-14-18(10-19)26(17)32(29,30)20-4-1-15(2-5-20)11-24-22(28)16-3-6-21-23-7-8-25(21)12-16/h1-8,12,17-19,27H,9-11,13-14H2,(H,24,28)/t17-,18+,19?
InChIKeyRIUTYWZNLISXRM-DFNIBXOVSA-N
MW456.52 g/mol
LogP1.18
Rot. Bonds5

About 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

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 (PubChem CID 90012584) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID90012584
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN-[[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
SMILESO=C(NCc1ccc(S(=O)(=O)N2[C@@H]3COC[C@H]2CC(O)C3)cc1)c1ccc2nccn2c1
InChIInChI=1S/C22H24N4O5S/c27-19-9-17-13-31-14-18(10-19)26(17)32(29,30)20-4-1-15(2-5-20)11-24-22(28)16-3-6-21-23-7-8-25(21)12-16/h1-8,12,17-19,27H,9-11,13-14H2,(H,24,28)/t17-,18+,19?
InChIKeyRIUTYWZNLISXRM-DFNIBXOVSA-N
XLogP1.18
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

N-[[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012821
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
N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 153192558
N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012691
4-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 66614342
(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
N-[[4-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66610408
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
tert-butyl 5-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
CID 90011983
N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66613588
N-[[4-[4-[(2-methylpropan-2-yl)oxymethoxymethylamino]piperidin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 123862370
N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703991

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NCc1ccc(S(=O)(=O)N2[C@@H]3COC[C@H]2CC(O)C3)cc1)c1ccc2nccn2c1.
What is the InChIKey of 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?
The InChIKey is RIUTYWZNLISXRM-DFNIBXOVSA-N. The full InChI is InChI=1S/C22H24N4O5S/c27-19-9-17-13-31-14-18(10-19)26(17)32(29,30)20-4-1-15(2-5-20)11-24-22(28)16-3-6-21-23-7-8-25(21)12-16/h1-8,12,17-19,27H,9-11,13-14H2,(H,24,28)/t17-,18+,19?.
What are the key properties of 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?
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 has a molecular weight of 456.52 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90012584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).