1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole

C27H25N5O — CID 141152307

IUPAC1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4ncc(CCc5ccccc5)nn4)ccc32)cc1
InChIInChI=1S/C27H25N5O/c1-19-25-16-22(27-28-17-23(29-30-27)12-8-20-6-4-3-5-7-20)11-15-26(25)32(31-19)18-21-9-13-24(33-2)14-10-21/h3-7,9-11,13-17H,8,12,18H2,1-2H3
InChIKeyKMZAXQIDLBDYQF-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.04
Rot. Bonds7

About 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole

1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole (PubChem CID 141152307) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole
PubChem CID141152307
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4ncc(CCc5ccccc5)nn4)ccc32)cc1
InChIInChI=1S/C27H25N5O/c1-19-25-16-22(27-28-17-23(29-30-27)12-8-20-6-4-3-5-7-20)11-15-26(25)32(31-19)18-21-9-13-24(33-2)14-10-21/h3-7,9-11,13-17H,8,12,18H2,1-2H3
InChIKeyKMZAXQIDLBDYQF-UHFFFAOYSA-N
XLogP5.04
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole 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

5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
CID 162528409
1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine
CID 970025
3-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 174608051
2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
CID 11645597
3-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methyl]indazole
CID 51357040
2-(4-methoxyphenyl)-5-(4-phenylbutyl)pyrimidine
CID 23361560
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-3,6-dimethoxycarbazole
CID 146522505
1-benzyl-5-bromo-3-[(3,4-dimethoxyphenyl)methyl]indazole
CID 118974280
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 55328367
1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine
CID 69189312
1-benzyl-5-chloro-4-(4-methoxyphenyl)triazole
CID 72701213
10-benzyl-4-(3,5-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2015946

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole (CID 141152307) is 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole is COc1ccc(Cn2nc(C)c3cc(-c4ncc(CCc5ccccc5)nn4)ccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole?
The InChIKey is KMZAXQIDLBDYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-19-25-16-22(27-28-17-23(29-30-27)12-8-20-6-4-3-5-7-20)11-15-26(25)32(31-19)18-21-9-13-24(33-2)14-10-21/h3-7,9-11,13-17H,8,12,18H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole?
1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole has a molecular weight of 435.53 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-(2-phenylethyl)-1,2,4-triazin-3-yl]indazole is sourced from PubChem (CID 141152307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).