5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole

C23H25N7O3 — CID 71548611

IUPAC5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3nc(C)no3)nc(C)n2)cc1OC
InChIInChI=1S/C23H25N7O3/c1-12-24-18(16-10-17(16)23-27-14(3)29-33-23)11-22(25-12)30-21(26-13(2)28-30)9-15-6-7-19(31-4)20(8-15)32-5/h6-8,11,16-17H,9-10H2,1-5H3
InChIKeyRPQIDRXPWDJNTJ-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.24
Rot. Bonds7

About 5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole

5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 71548611) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole
PubChem CID71548611
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3nc(C)no3)nc(C)n2)cc1OC
InChIInChI=1S/C23H25N7O3/c1-12-24-18(16-10-17(16)23-27-14(3)29-33-23)11-22(25-12)30-21(26-13(2)28-30)9-15-6-7-19(31-4)20(8-15)32-5/h6-8,11,16-17H,9-10H2,1-5H3
InChIKeyRPQIDRXPWDJNTJ-UHFFFAOYSA-N
XLogP3.24
TPSA113.87 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-6-ethenyl-2-methylpyrimidine
CID 71548429
2-[[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]oxymethyl]quinoline
CID 71548337
2-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]ethenyl]-1,5-naphthyridine
CID 78107575
5-[(3,4-dimethoxyphenyl)methyl]-1-[6-[2-(4-methoxy-2-pyridinyl)ethyl]-2-methylpyrimidin-4-yl]-1,2,4-triazol-3-amine
CID 68975522
5-[(3,4-dimethoxyphenyl)methyl]-1-[2-methyl-6-(2-quinolin-2-ylethyl)pyrimidin-4-yl]-1,2,4-triazol-3-amine
CID 56963405
3-(3,4-dimethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 47061048
3-[(3,4-dimethoxyphenyl)methyl]-5-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole
CID 95907115
5-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1,2,4-triazol-3-amine
CID 56962739
4-tert-butyl-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazole
CID 115394576
5-[(3,4-dimethoxyphenyl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-amine
CID 56962741
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 60565475
5-[(3,4-dimethoxyphenyl)methyl]-1-[2-methyl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)pyrimidin-4-yl]-1,2,4-triazol-3-amine
CID 56962586

Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole (CID 71548611) is 5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole is COc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3nc(C)no3)nc(C)n2)cc1OC.
What is the InChIKey of 5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is RPQIDRXPWDJNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-12-24-18(16-10-17(16)23-27-14(3)29-33-23)11-22(25-12)30-21(26-13(2)28-30)9-15-6-7-19(31-4)20(8-15)32-5/h6-8,11,16-17H,9-10H2,1-5H3.
What are the key properties of 5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole?
5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 447.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 71548611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).