N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline

C29H34N4O3 — CID 167465475

IUPACN-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline
SMILESCOc1cccc(CN(Cc2ccc3cn[nH]c3c2)c2cccc(COCCN3CCOCC3)c2)c1
InChIInChI=1S/C29H34N4O3/c1-34-28-7-3-4-23(17-28)20-33(21-24-8-9-26-19-30-31-29(26)18-24)27-6-2-5-25(16-27)22-36-15-12-32-10-13-35-14-11-32/h2-9,16-19H,10-15,20-22H2,1H3,(H,30,31)
InChIKeyYEYVQHJCQNZLNI-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.63
Rot. Bonds11

About N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline

N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline (PubChem CID 167465475) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline.

Molecular Properties

Compound NameN-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline
PubChem CID167465475
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC NameN-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline
SMILESCOc1cccc(CN(Cc2ccc3cn[nH]c3c2)c2cccc(COCCN3CCOCC3)c2)c1
InChIInChI=1S/C29H34N4O3/c1-34-28-7-3-4-23(17-28)20-33(21-24-8-9-26-19-30-31-29(26)18-24)27-6-2-5-25(16-27)22-36-15-12-32-10-13-35-14-11-32/h2-9,16-19H,10-15,20-22H2,1H3,(H,30,31)
InChIKeyYEYVQHJCQNZLNI-UHFFFAOYSA-N
XLogP4.63
TPSA62.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]aniline
CID 167466026
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline
CID 167466230
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine
CID 167466359
4-[[3-[1H-indazol-6-ylmethyl-[(3-methoxyphenyl)methyl]amino]phenyl]methyl]piperazin-2-one
CID 167465202
N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-5-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-2-amine
CID 167465243
N-[(3-methoxyphenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465345
3-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]-N-[(3-morpholin-4-ylphenyl)methyl]aniline
CID 167465905
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167466247
N-[(3-methoxyphenyl)methyl]-2-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465463
5-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-2-amine
CID 167465944
N-[(3-methoxyphenyl)methyl]-5-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 167465527
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-oxazol-2-amine
CID 167465845

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline?
The IUPAC name of N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline (CID 167465475) is N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline.
What is the SMILES notation for N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline?
The canonical SMILES for N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline is COc1cccc(CN(Cc2ccc3cn[nH]c3c2)c2cccc(COCCN3CCOCC3)c2)c1.
What is the InChIKey of N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline?
The InChIKey is YEYVQHJCQNZLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-34-28-7-3-4-23(17-28)20-33(21-24-8-9-26-19-30-31-29(26)18-24)27-6-2-5-25(16-27)22-36-15-12-32-10-13-35-14-11-32/h2-9,16-19H,10-15,20-22H2,1H3,(H,30,31).
What are the key properties of N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline?
N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline has a molecular weight of 486.62 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline is sourced from PubChem (CID 167465475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).