N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide

C23H22N8O2S — CID 58577988

IUPACN-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide
SMILESCc1cccc(-c2[nH]c(CNc3cccc(NS(C)(=O)=O)c3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H22N8O2S/c1-15-5-3-8-19(27-15)23-22(16-9-10-21-25-14-26-31(21)13-16)28-20(29-23)12-24-17-6-4-7-18(11-17)30-34(2,32)33/h3-11,13-14,24,30H,12H2,1-2H3,(H,28,29)
InChIKeyVWPJWDZHEMCUOG-UHFFFAOYSA-N
MW474.55 g/mol
LogP3.47
Rot. Bonds7

About N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide

N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide (PubChem CID 58577988) has the molecular formula C23H22N8O2S and a molecular weight of 474.55 g/mol. Its IUPAC name is N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide
PubChem CID58577988
Molecular FormulaC23H22N8O2S
Molecular Weight474.55 g/mol
Exact Mass474.16
IUPAC NameN-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide
SMILESCc1cccc(-c2[nH]c(CNc3cccc(NS(C)(=O)=O)c3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H22N8O2S/c1-15-5-3-8-19(27-15)23-22(16-9-10-21-25-14-26-31(21)13-16)28-20(29-23)12-24-17-6-4-7-18(11-17)30-34(2,32)33/h3-11,13-14,24,30H,12H2,1-2H3,(H,28,29)
InChIKeyVWPJWDZHEMCUOG-UHFFFAOYSA-N
XLogP3.47
TPSA129.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide (CID 58577988) is N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide is Cc1cccc(-c2[nH]c(CNc3cccc(NS(C)(=O)=O)c3)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide?
The InChIKey is VWPJWDZHEMCUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2S/c1-15-5-3-8-19(27-15)23-22(16-9-10-21-25-14-26-31(21)13-16)28-20(29-23)12-24-17-6-4-7-18(11-17)30-34(2,32)33/h3-11,13-14,24,30H,12H2,1-2H3,(H,28,29).
What are the key properties of N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide?
N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide has a molecular weight of 474.55 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 58577988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).