7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine

C20H22N6O — CID 44608933

IUPAC7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCOc1nc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2c1C
InChIInChI=1S/C20H22N6O/c1-13-19-23-17(24-26(19)14(2)21-20(13)27-4)10-11-18-22-16(12-25(18)3)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3
InChIKeyUQWDRPUQGPNHEE-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.94
Rot. Bonds5

About 7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine

7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 44608933) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID44608933
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCOc1nc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2c1C
InChIInChI=1S/C20H22N6O/c1-13-19-23-17(24-26(19)14(2)21-20(13)27-4)10-11-18-22-16(12-25(18)3)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3
InChIKeyUQWDRPUQGPNHEE-UHFFFAOYSA-N
XLogP2.94
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine with MolForge

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Related Compounds

Ksq-4279
CID 150782011
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
US10399985, Example 19
CID 118278204
US10399985, Example 17
CID 118278237
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 134284285
Idrx-42
CID 155587867
US10399985, Example 14
CID 118278105
US10399985, Example 42
CID 118278135

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 44608933) is 7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine is COc1nc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2c1C.
What is the InChIKey of 7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is UQWDRPUQGPNHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13-19-23-17(24-26(19)14(2)21-20(13)27-4)10-11-18-22-16(12-25(18)3)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 362.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 44608933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).