[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C23H21N5O3S — CID 24791786

IUPAC[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCSc1ccccc1OCc1cc(C(=O)N2CCc3[nH]cnc3C2c2ccccn2)no1
InChIInChI=1S/C23H21N5O3S/c1-32-20-8-3-2-7-19(20)30-13-15-12-18(27-31-15)23(29)28-11-9-16-21(26-14-25-16)22(28)17-6-4-5-10-24-17/h2-8,10,12,14,22H,9,11,13H2,1H3,(H,25,26)
InChIKeyFTGRZNWDFLUOKD-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.88
Rot. Bonds6

About [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 24791786) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID24791786
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCSc1ccccc1OCc1cc(C(=O)N2CCc3[nH]cnc3C2c2ccccn2)no1
InChIInChI=1S/C23H21N5O3S/c1-32-20-8-3-2-7-19(20)30-13-15-12-18(27-31-15)23(29)28-11-9-16-21(26-14-25-16)22(28)17-6-4-5-10-24-17/h2-8,10,12,14,22H,9,11,13H2,1H3,(H,25,26)
InChIKeyFTGRZNWDFLUOKD-UHFFFAOYSA-N
XLogP3.88
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 46982916
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 42292261
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 97151262
[(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 25379228
methyl 5-fluoro-2-[[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 51974157
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42190643
methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 51974501
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
methyl 4-[[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 39377567
N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42529929
[5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 95128403
[5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 50964981

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 24791786) is [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is CSc1ccccc1OCc1cc(C(=O)N2CCc3[nH]cnc3C2c2ccccn2)no1.
What is the InChIKey of [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is FTGRZNWDFLUOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c1-32-20-8-3-2-7-19(20)30-13-15-12-18(27-31-15)23(29)28-11-9-16-21(26-14-25-16)22(28)17-6-4-5-10-24-17/h2-8,10,12,14,22H,9,11,13H2,1H3,(H,25,26).
What are the key properties of [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 447.52 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 24791786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).