N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C25H24F2N8O3S — CID 155546452

IUPACN-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4cn(CCN(C)C)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C25H24F2N8O3S/c1-33(2)8-9-34-15-21(30-32-34)22-13-28-24-7-4-16(14-35(22)24)17-10-20(25(38-3)29-12-17)31-39(36,37)23-6-5-18(26)11-19(23)27/h4-7,10-15,31H,8-9H2,1-3H3
InChIKeyISJAKSKQWRYLNL-UHFFFAOYSA-N
MW554.58 g/mol
LogP3.30
Rot. Bonds9

About N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 155546452) has the molecular formula C25H24F2N8O3S and a molecular weight of 554.58 g/mol. Its IUPAC name is N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID155546452
Molecular FormulaC25H24F2N8O3S
Molecular Weight554.58 g/mol
Exact Mass554.17
IUPAC NameN-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4cn(CCN(C)C)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C25H24F2N8O3S/c1-33(2)8-9-34-15-21(30-32-34)22-13-28-24-7-4-16(14-35(22)24)17-10-20(25(38-3)29-12-17)31-39(36,37)23-6-5-18(26)11-19(23)27/h4-7,10-15,31H,8-9H2,1-3H3
InChIKeyISJAKSKQWRYLNL-UHFFFAOYSA-N
XLogP3.30
TPSA119.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.58
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 155546452) is N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2ccc3ncc(-c4cn(CCN(C)C)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is ISJAKSKQWRYLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N8O3S/c1-33(2)8-9-34-15-21(30-32-34)22-13-28-24-7-4-16(14-35(22)24)17-10-20(25(38-3)29-12-17)31-39(36,37)23-6-5-18(26)11-19(23)27/h4-7,10-15,31H,8-9H2,1-3H3.
What are the key properties of N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 554.58 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 155546452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).