[5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol

C25H24N6O2 — CID 67476903

IUPAC[5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol
SMILESCOc1cccc(-n2nc3c(Nc4ccc(-n5cnc(C)n5)c(CO)c4)cccc3c2C)c1
InChIInChI=1S/C25H24N6O2/c1-16-22-8-5-9-23(25(22)29-31(16)20-6-4-7-21(13-20)33-3)27-19-10-11-24(18(12-19)14-32)30-15-26-17(2)28-30/h4-13,15,27,32H,14H2,1-3H3
InChIKeyPNCZOYUDNHUYLN-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.47
Rot. Bonds6

About [5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol

[5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol (PubChem CID 67476903) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is [5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol
PubChem CID67476903
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name[5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol
SMILESCOc1cccc(-n2nc3c(Nc4ccc(-n5cnc(C)n5)c(CO)c4)cccc3c2C)c1
InChIInChI=1S/C25H24N6O2/c1-16-22-8-5-9-23(25(22)29-31(16)20-6-4-7-21(13-20)33-3)27-19-10-11-24(18(12-19)14-32)30-15-26-17(2)28-30/h4-13,15,27,32H,14H2,1-3H3
InChIKeyPNCZOYUDNHUYLN-UHFFFAOYSA-N
XLogP4.47
TPSA90.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol 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

N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)benzimidazol-4-amine
CID 66679505
1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134605893
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114799021
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
4-[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 70802869
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721
N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine
CID 67416898
[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol
CID 115056455
4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride
CID 22417967
[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 56769452
1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 70266988
[1-(3-methoxyphenyl)imidazol-2-yl]methanol
CID 119091305

Frequently Asked Questions

What is the IUPAC name of [5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol?
The IUPAC name of [5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol (CID 67476903) is [5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol.
What is the SMILES notation for [5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol?
The canonical SMILES for [5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol is COc1cccc(-n2nc3c(Nc4ccc(-n5cnc(C)n5)c(CO)c4)cccc3c2C)c1.
What is the InChIKey of [5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol?
The InChIKey is PNCZOYUDNHUYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-16-22-8-5-9-23(25(22)29-31(16)20-6-4-7-21(13-20)33-3)27-19-10-11-24(18(12-19)14-32)30-15-26-17(2)28-30/h4-13,15,27,32H,14H2,1-3H3.
What are the key properties of [5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol?
[5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol has a molecular weight of 440.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(3-methoxyphenyl)-3-methylindazol-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol is sourced from PubChem (CID 67476903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).