3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide

C28H31N5O3 — CID 70982520

IUPAC3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide
SMILESCN1CCN(c2cccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccccc5)ccc34)c2)CC1
InChIInChI=1S/C28H31N5O3/c1-32-12-14-33(15-13-32)23-9-5-8-22(18-23)28(34)29-27-25-11-10-24(19-26(25)30-31-27)36-17-16-35-20-21-6-3-2-4-7-21/h2-11,18-19H,12-17,20H2,1H3,(H2,29,30,31,34)
InChIKeyZYSJQBKVRRFPQE-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.16
Rot. Bonds9

About 3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide

3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide (PubChem CID 70982520) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide
PubChem CID70982520
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide
SMILESCN1CCN(c2cccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccccc5)ccc34)c2)CC1
InChIInChI=1S/C28H31N5O3/c1-32-12-14-33(15-13-32)23-9-5-8-22(18-23)28(34)29-27-25-11-10-24(19-26(25)30-31-27)36-17-16-35-20-21-6-3-2-4-7-21/h2-11,18-19H,12-17,20H2,1H3,(H2,29,30,31,34)
InChIKeyZYSJQBKVRRFPQE-UHFFFAOYSA-N
XLogP4.16
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982585
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
N-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
CID 46245012
N-[6-(1-benzylpiperidin-1-ium-1-yl)oxy-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 89158415
tert-butyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate
CID 70983295
[4-(4-methylpiperazin-1-yl)phenyl]-[[6-(2-phenoxyethoxy)-1H-indazol-3-yl]amino]methanol
CID 146258000
N-[6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-1H-indazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
CID 166774557
4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244209
4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide
CID 141458906
N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-2-(4-methoxybutyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 58513769
N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584379

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide (CID 70982520) is 3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide is CN1CCN(c2cccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccccc5)ccc34)c2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide?
The InChIKey is ZYSJQBKVRRFPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-32-12-14-33(15-13-32)23-9-5-8-22(18-23)28(34)29-27-25-11-10-24(19-26(25)30-31-27)36-17-16-35-20-21-6-3-2-4-7-21/h2-11,18-19H,12-17,20H2,1H3,(H2,29,30,31,34).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide?
3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide has a molecular weight of 485.59 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 70982520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).