N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H17F2N5O3S — CID 118193587

IUPACN-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(F)(F)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)cn1
InChIInChI=1S/C21H17F2N5O3S/c1-21(22,23)18-6-5-17(12-26-18)32(30,31)16-4-3-15(25-11-16)10-27-20(29)14-2-7-19-24-8-9-28(19)13-14/h2-9,11-13H,10H2,1H3,(H,27,29)
InChIKeyGDGTZQCRFJFQCP-UHFFFAOYSA-N
MW457.46 g/mol
LogP3.00
Rot. Bonds6

About N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118193587) has the molecular formula C21H17F2N5O3S and a molecular weight of 457.46 g/mol. Its IUPAC name is N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118193587
Molecular FormulaC21H17F2N5O3S
Molecular Weight457.46 g/mol
Exact Mass457.10
IUPAC NameN-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(F)(F)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)cn1
InChIInChI=1S/C21H17F2N5O3S/c1-21(22,23)18-6-5-17(12-26-18)32(30,31)16-4-3-15(25-11-16)10-27-20(29)14-2-7-19-24-8-9-28(19)13-14/h2-9,11-13H,10H2,1H3,(H,27,29)
InChIKeyGDGTZQCRFJFQCP-UHFFFAOYSA-N
XLogP3.00
TPSA106.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118193541
N-[[4-[5-(dimethylamino)pyrazin-2-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66634626
N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66613588
N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 118193584
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-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012691
N-(3-hydroxy-2,2-dimethylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110475104
N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 87074884
N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703991
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134791397
N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703963

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118193587) is N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is CC(F)(F)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)cn1.
What is the InChIKey of N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is GDGTZQCRFJFQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O3S/c1-21(22,23)18-6-5-17(12-26-18)32(30,31)16-4-3-15(25-11-16)10-27-20(29)14-2-7-19-24-8-9-28(19)13-14/h2-9,11-13H,10H2,1H3,(H,27,29).
What are the key properties of N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 457.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118193587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).