7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine

C20H20F2N6O2 — CID 175619385

IUPAC7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine
SMILESCOCC(F)(F)c1ccn2cc(-c3nc(C)nn3Cc3ccc(OC)cc3)nc2n1
InChIInChI=1S/C20H20F2N6O2/c1-13-23-18(28(26-13)10-14-4-6-15(30-3)7-5-14)16-11-27-9-8-17(25-19(27)24-16)20(21,22)12-29-2/h4-9,11H,10,12H2,1-3H3
InChIKeyOTQMUQHRKBVPRL-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.09
Rot. Bonds7

About 7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine

7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine (PubChem CID 175619385) has the molecular formula C20H20F2N6O2 and a molecular weight of 414.42 g/mol. Its IUPAC name is 7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine
PubChem CID175619385
Molecular FormulaC20H20F2N6O2
Molecular Weight414.42 g/mol
Exact Mass414.16
IUPAC Name7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine
SMILESCOCC(F)(F)c1ccn2cc(-c3nc(C)nn3Cc3ccc(OC)cc3)nc2n1
InChIInChI=1S/C20H20F2N6O2/c1-13-23-18(28(26-13)10-14-4-6-15(30-3)7-5-14)16-11-27-9-8-17(25-19(27)24-16)20(21,22)12-29-2/h4-9,11H,10,12H2,1-3H3
InChIKeyOTQMUQHRKBVPRL-UHFFFAOYSA-N
XLogP3.09
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine 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-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-7-methylsulfanylimidazo[1,2-a]pyrimidine
CID 171521967
2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine
CID 175619394
1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole
CID 166377375
N-ethyl-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine
CID 86342185
5-imidazo[1,2-a]pyrimidin-2-yl-1-[(4-methoxyphenyl)methyl]-N,N-dimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium-4-sulfonamide
CID 175619831
3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19587078
2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanenitrile
CID 157400857
ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
CID 144619919
[1-[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropyl]carbamic acid
CID 66890824
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
3,5-dimethyl-1-[(4-propoxyphenyl)methyl]-1,2,4-triazole
CID 84592616

Frequently Asked Questions

What is the IUPAC name of 7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine (CID 175619385) is 7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine is COCC(F)(F)c1ccn2cc(-c3nc(C)nn3Cc3ccc(OC)cc3)nc2n1.
What is the InChIKey of 7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is OTQMUQHRKBVPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O2/c1-13-23-18(28(26-13)10-14-4-6-15(30-3)7-5-14)16-11-27-9-8-17(25-19(27)24-16)20(21,22)12-29-2/h4-9,11H,10,12H2,1-3H3.
What are the key properties of 7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine?
7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 414.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 175619385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).