N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine

C28H33N5O3 — CID 175920534

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
SMILESCCN1CCN(c2ccc(Nc3n[nH]c4cc(-c5cc(OC)c(OC)c(OC)c5)ccc34)cc2)CC1
InChIInChI=1S/C28H33N5O3/c1-5-32-12-14-33(15-13-32)22-9-7-21(8-10-22)29-28-23-11-6-19(16-24(23)30-31-28)20-17-25(34-2)27(36-4)26(18-20)35-3/h6-11,16-18H,5,12-15H2,1-4H3,(H2,29,30,31)
InChIKeyZEFLRAFOZBXGEA-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.14
Rot. Bonds8

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine

N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine (PubChem CID 175920534) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
PubChem CID175920534
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
SMILESCCN1CCN(c2ccc(Nc3n[nH]c4cc(-c5cc(OC)c(OC)c(OC)c5)ccc34)cc2)CC1
InChIInChI=1S/C28H33N5O3/c1-5-32-12-14-33(15-13-32)22-9-7-21(8-10-22)29-28-23-11-6-19(16-24(23)30-31-28)20-17-25(34-2)27(36-4)26(18-20)35-3/h6-11,16-18H,5,12-15H2,1-4H3,(H2,29,30,31)
InChIKeyZEFLRAFOZBXGEA-UHFFFAOYSA-N
XLogP5.14
TPSA74.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide
CID 141458906
6-(4-butylpiperazin-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 163409283
N-(3,4-dimethoxyphenyl)-6-fluoro-1H-indazol-3-amine
CID 162651967
6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 145192711
1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine
CID 22485481
5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
CID 112946282
2-N-[4-(4-ethylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(1H-indazol-6-yl)-5-methylpyrimidine-2,4-diamine
CID 156704686
5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 122520760
6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 69248088
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 162691599
N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide
CID 153406241
2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2653964

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine (CID 175920534) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine is CCN1CCN(c2ccc(Nc3n[nH]c4cc(-c5cc(OC)c(OC)c(OC)c5)ccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The InChIKey is ZEFLRAFOZBXGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-5-32-12-14-33(15-13-32)22-9-7-21(8-10-22)29-28-23-11-6-19(16-24(23)30-31-28)20-17-25(34-2)27(36-4)26(18-20)35-3/h6-11,16-18H,5,12-15H2,1-4H3,(H2,29,30,31).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine has a molecular weight of 487.60 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine is sourced from PubChem (CID 175920534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).