2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine

C44H41F2N11O4 — CID 69248985

IUPAC2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOCCOCc1nnc(-c2ccc(-c3cccc(C)c3C)nc2)n1-c1ccc(OC)nc1.COc1ccc(-n2c(C)nnc2-c2cnc(-c3cc(F)cc(F)c3)cn2)cn1
InChIInChI=1S/C25H27N5O3.C19H14F2N6O/c1-17-6-5-7-21(18(17)2)22-10-8-19(14-26-22)25-29-28-23(16-33-13-12-31-3)30(25)20-9-11-24(32-4)27-15-20;1-11-25-26-19(27(11)15-3-4-18(28-2)24-8-15)17-10-22-16(9-23-17)12-5-13(20)7-14(21)6-12/h5-11,14-15H,12-13,16H2,1-4H3;3-10H,1-2H3
InChIKeyKRAYFFUTECTNBO-UHFFFAOYSA-N
MW825.88 g/mol
LogP7.56
Rot. Bonds13

About 2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine

2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 69248985) has the molecular formula C44H41F2N11O4 and a molecular weight of 825.88 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID69248985
Molecular FormulaC44H41F2N11O4
Molecular Weight825.88 g/mol
Exact Mass825.33
IUPAC Name2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOCCOCc1nnc(-c2ccc(-c3cccc(C)c3C)nc2)n1-c1ccc(OC)nc1.COc1ccc(-n2c(C)nnc2-c2cnc(-c3cc(F)cc(F)c3)cn2)cn1
InChIInChI=1S/C25H27N5O3.C19H14F2N6O/c1-17-6-5-7-21(18(17)2)22-10-8-19(14-26-22)25-29-28-23(16-33-13-12-31-3)30(25)20-9-11-24(32-4)27-15-20;1-11-25-26-19(27(11)15-3-4-18(28-2)24-8-15)17-10-22-16(9-23-17)12-5-13(20)7-14(21)6-12/h5-11,14-15H,12-13,16H2,1-4H3;3-10H,1-2H3
InChIKeyKRAYFFUTECTNBO-UHFFFAOYSA-N
XLogP7.56
TPSA162.79 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500825.88
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine 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-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine
CID 11419819
2-(4-isocyano-2-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
CID 58997476
2-(2-chloro-3-fluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 11848692
2-(5-isocyano-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 58997481
5-[3-(3-chloro-4-ethoxyphenyl)-5-(ethoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 11383683
5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 70331922
3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine
CID 11292749
2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 59474966
6-(2,3-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazine
CID 155569574
3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
CID 69370395
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001
1-[(2-chloro-4-fluorophenyl)methyl]-4-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]piperazine
CID 155565553

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine (CID 69248985) is 2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine is COCCOCc1nnc(-c2ccc(-c3cccc(C)c3C)nc2)n1-c1ccc(OC)nc1.COc1ccc(-n2c(C)nnc2-c2cnc(-c3cc(F)cc(F)c3)cn2)cn1.
What is the InChIKey of 2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is KRAYFFUTECTNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3.C19H14F2N6O/c1-17-6-5-7-21(18(17)2)22-10-8-19(14-26-22)25-29-28-23(16-33-13-12-31-3)30(25)20-9-11-24(32-4)27-15-20;1-11-25-26-19(27(11)15-3-4-18(28-2)24-8-15)17-10-22-16(9-23-17)12-5-13(20)7-14(21)6-12/h5-11,14-15H,12-13,16H2,1-4H3;3-10H,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine?
2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 825.88 g/mol, XLogP of 7.56, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 69248985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).