2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide

C22H24N6O2S — CID 86902264

IUPAC2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1ccc2nc(COc3ccccc3C(=O)NCc3n[nH]c(=S)n3C(C)C)cn2c1
InChIInChI=1S/C22H24N6O2S/c1-14(2)28-20(25-26-22(28)31)10-23-21(29)17-6-4-5-7-18(17)30-13-16-12-27-11-15(3)8-9-19(27)24-16/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,29)(H,26,31)
InChIKeyJTLXLITWAGLBGV-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.99
Rot. Bonds7

About 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide

2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 86902264) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID86902264
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC Name2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1ccc2nc(COc3ccccc3C(=O)NCc3n[nH]c(=S)n3C(C)C)cn2c1
InChIInChI=1S/C22H24N6O2S/c1-14(2)28-20(25-26-22(28)31)10-23-21(29)17-6-4-5-7-18(17)30-13-16-12-27-11-15(3)8-9-19(27)24-16/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,29)(H,26,31)
InChIKeyJTLXLITWAGLBGV-UHFFFAOYSA-N
XLogP3.99
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide (CID 86902264) is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide is Cc1ccc2nc(COc3ccccc3C(=O)NCc3n[nH]c(=S)n3C(C)C)cn2c1.
What is the InChIKey of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is JTLXLITWAGLBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-14(2)28-20(25-26-22(28)31)10-23-21(29)17-6-4-5-7-18(17)30-13-16-12-27-11-15(3)8-9-19(27)24-16/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,29)(H,26,31).
What are the key properties of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide?
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 436.54 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 86902264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).