2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine

C21H23N7O3 — CID 11384649

IUPAC2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine
SMILESCOc1ccc(-n2c(Cn3nccn3)nnc2-c2ccc(OC(C)C)cc2OC)cn1
InChIInChI=1S/C21H23N7O3/c1-14(2)31-16-6-7-17(18(11-16)29-3)21-26-25-19(13-27-23-9-10-24-27)28(21)15-5-8-20(30-4)22-12-15/h5-12,14H,13H2,1-4H3
InChIKeyKUTCQQKIDFGEAB-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.77
Rot. Bonds8

About 2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine

2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine (PubChem CID 11384649) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine
PubChem CID11384649
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC Name2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine
SMILESCOc1ccc(-n2c(Cn3nccn3)nnc2-c2ccc(OC(C)C)cc2OC)cn1
InChIInChI=1S/C21H23N7O3/c1-14(2)31-16-6-7-17(18(11-16)29-3)21-26-25-19(13-27-23-9-10-24-27)28(21)15-5-8-20(30-4)22-12-15/h5-12,14H,13H2,1-4H3
InChIKeyKUTCQQKIDFGEAB-UHFFFAOYSA-N
XLogP2.77
TPSA102.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-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

4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole
CID 70332319
2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine
CID 11419819
2-(2-methoxy-4-propan-2-yloxyphenyl)pyrazine
CID 22249015
2-(4-isocyano-2-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
CID 58997476
5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 70331922
5-[3-(3-chloro-4-ethoxyphenyl)-5-(ethoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 11383683
3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine
CID 11292749
ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate
CID 68699637
2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol
CID 142920151
5-(2,4-dimethoxyphenyl)-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 3947636
1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347871
2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole
CID 102212973

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine (CID 11384649) is 2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine is COc1ccc(-n2c(Cn3nccn3)nnc2-c2ccc(OC(C)C)cc2OC)cn1.
What is the InChIKey of 2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine?
The InChIKey is KUTCQQKIDFGEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c1-14(2)31-16-6-7-17(18(11-16)29-3)21-26-25-19(13-27-23-9-10-24-27)28(21)15-5-8-20(30-4)22-12-15/h5-12,14H,13H2,1-4H3.
What are the key properties of 2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine?
2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine has a molecular weight of 421.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 11384649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).