2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine

C25H27N5O4 — CID 11419819

IUPAC2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine
SMILESCOCCOCc1nnc(-c2ccc(-c3cc(C)ccc3OC)nc2)n1-c1ccc(OC)nc1
InChIInChI=1S/C25H27N5O4/c1-17-5-9-22(32-3)20(13-17)21-8-6-18(14-26-21)25-29-28-23(16-34-12-11-31-2)30(25)19-7-10-24(33-4)27-15-19/h5-10,13-15H,11-12,16H2,1-4H3
InChIKeyQPCQXRPGMYIZQS-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.88
Rot. Bonds10

About 2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine

2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine (PubChem CID 11419819) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine
PubChem CID11419819
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine
SMILESCOCCOCc1nnc(-c2ccc(-c3cc(C)ccc3OC)nc2)n1-c1ccc(OC)nc1
InChIInChI=1S/C25H27N5O4/c1-17-5-9-22(32-3)20(13-17)21-8-6-18(14-26-21)25-29-28-23(16-34-12-11-31-2)30(25)19-7-10-24(33-4)27-15-19/h5-10,13-15H,11-12,16H2,1-4H3
InChIKeyQPCQXRPGMYIZQS-UHFFFAOYSA-N
XLogP3.88
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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
2-(4-isocyano-2-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
CID 58997476
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-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine
CID 11384649
6-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 56701713
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
[6-(2-methoxy-5-methylphenyl)pyridazin-3-yl]hydrazine
CID 62044559
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
ethyl (2R)-2-[[5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate
CID 93117495

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine (CID 11419819) is 2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine is COCCOCc1nnc(-c2ccc(-c3cc(C)ccc3OC)nc2)n1-c1ccc(OC)nc1.
What is the InChIKey of 2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine?
The InChIKey is QPCQXRPGMYIZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-17-5-9-22(32-3)20(13-17)21-8-6-18(14-26-21)25-29-28-23(16-34-12-11-31-2)30(25)19-7-10-24(33-4)27-15-19/h5-10,13-15H,11-12,16H2,1-4H3.
What are the key properties of 2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine?
2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine has a molecular weight of 461.52 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 11419819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).