N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine

C33H36N4O4 — CID 167465243

IUPACN-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine
SMILESCOc1cccc(CN(Cc2ccc3cn[nH]c3c2)c2ccc(COCCOCCOCc3ccccc3)cn2)c1
InChIInChI=1S/C33H36N4O4/c1-38-31-9-5-8-27(18-31)22-37(23-28-10-12-30-21-35-36-32(30)19-28)33-13-11-29(20-34-33)25-41-17-15-39-14-16-40-24-26-6-3-2-4-7-26/h2-13,18-21H,14-17,22-25H2,1H3,(H,35,36)
InChIKeyKOYJOEFRMJJUIU-UHFFFAOYSA-N
MW552.68 g/mol
LogP5.92
Rot. Bonds16

About N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine

N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine (PubChem CID 167465243) has the molecular formula C33H36N4O4 and a molecular weight of 552.68 g/mol. Its IUPAC name is N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine
PubChem CID167465243
Molecular FormulaC33H36N4O4
Molecular Weight552.68 g/mol
Exact Mass552.27
IUPAC NameN-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine
SMILESCOc1cccc(CN(Cc2ccc3cn[nH]c3c2)c2ccc(COCCOCCOCc3ccccc3)cn2)c1
InChIInChI=1S/C33H36N4O4/c1-38-31-9-5-8-27(18-31)22-37(23-28-10-12-30-21-35-36-32(30)19-28)33-13-11-29(20-34-33)25-41-17-15-39-14-16-40-24-26-6-3-2-4-7-26/h2-13,18-21H,14-17,22-25H2,1H3,(H,35,36)
InChIKeyKOYJOEFRMJJUIU-UHFFFAOYSA-N
XLogP5.92
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine 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-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-2-amine
CID 167465944
N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline
CID 167465475
N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine
CID 167465242
5-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 167465337
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 167466346
N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxy]pyridin-4-amine
CID 171483692
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxymethyl]-1,3-thiazol-2-amine
CID 167465397
N-[(3-methoxyphenyl)methyl]-3-[2-(2-phenylmethoxyethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 167465674
3-[[4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]anilino]methyl]-N,N-dimethylaniline
CID 167466319
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466330
4-[[3-[1H-indazol-6-ylmethyl-[(3-methoxyphenyl)methyl]amino]phenyl]methyl]piperazin-2-one
CID 167465202
N-(3H-benzimidazol-5-ylmethyl)-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-N-[(3-methoxyphenyl)methyl]aniline
CID 167465588

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine?
The IUPAC name of N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine (CID 167465243) is N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine.
What is the SMILES notation for N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine?
The canonical SMILES for N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine is COc1cccc(CN(Cc2ccc3cn[nH]c3c2)c2ccc(COCCOCCOCc3ccccc3)cn2)c1.
What is the InChIKey of N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine?
The InChIKey is KOYJOEFRMJJUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O4/c1-38-31-9-5-8-27(18-31)22-37(23-28-10-12-30-21-35-36-32(30)19-28)33-13-11-29(20-34-33)25-41-17-15-39-14-16-40-24-26-6-3-2-4-7-26/h2-13,18-21H,14-17,22-25H2,1H3,(H,35,36).
What are the key properties of N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine?
N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine has a molecular weight of 552.68 g/mol, XLogP of 5.92, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine is sourced from PubChem (CID 167465243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).