N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H18N4O3S — CID 66613588

IUPACN-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccncc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1
InChIInChI=1S/C21H18N4O3S/c1-15-8-9-22-13-19(15)29(27,28)18-5-2-16(3-6-18)12-24-21(26)17-4-7-20-23-10-11-25(20)14-17/h2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyRTUFYGWRDXAFIJ-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.80
Rot. Bonds5

About N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 66613588) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID66613588
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccncc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1
InChIInChI=1S/C21H18N4O3S/c1-15-8-9-22-13-19(15)29(27,28)18-5-2-16(3-6-18)12-24-21(26)17-4-7-20-23-10-11-25(20)14-17/h2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyRTUFYGWRDXAFIJ-UHFFFAOYSA-N
XLogP2.80
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012691
N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 87074884
N-[[4-[5-(dimethylamino)pyrazin-2-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66634626
4-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 66614342
N-[[4-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66610408
N-[[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012821
N-[[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012461
N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118193587
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-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703991
N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703963

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 66613588) is N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccncc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1.
What is the InChIKey of N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is RTUFYGWRDXAFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-15-8-9-22-13-19(15)29(27,28)18-5-2-16(3-6-18)12-24-21(26)17-4-7-20-23-10-11-25(20)14-17/h2-11,13-14H,12H2,1H3,(H,24,26).
What are the key properties of N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 66613588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).