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

C29H32N4O4 — CID 70982585

IUPAC4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide
SMILESCN1CCC(Oc2ccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccccc5)ccc34)cc2)CC1
InChIInChI=1S/C29H32N4O4/c1-33-15-13-24(14-16-33)37-23-9-7-22(8-10-23)29(34)30-28-26-12-11-25(19-27(26)31-32-28)36-18-17-35-20-21-5-3-2-4-6-21/h2-12,19,24H,13-18,20H2,1H3,(H2,30,31,32,34)
InChIKeyOLXANVNHYPFAFD-UHFFFAOYSA-N
MW500.60 g/mol
LogP4.88
Rot. Bonds10

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

4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide (PubChem CID 70982585) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide
PubChem CID70982585
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Name4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide
SMILESCN1CCC(Oc2ccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccccc5)ccc34)cc2)CC1
InChIInChI=1S/C29H32N4O4/c1-33-15-13-24(14-16-33)37-23-9-7-22(8-10-23)29(34)30-28-26-12-11-25(19-27(26)31-32-28)36-18-17-35-20-21-5-3-2-4-6-21/h2-12,19,24H,13-18,20H2,1H3,(H2,30,31,32,34)
InChIKeyOLXANVNHYPFAFD-UHFFFAOYSA-N
XLogP4.88
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.88
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

3-(4-methylpiperazin-1-yl)-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982520
4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
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
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244209
N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
CID 155208863
6-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine
CID 126695915
[4-(4-methylpiperazin-1-yl)phenyl]-[[6-(2-phenoxyethoxy)-1H-indazol-3-yl]amino]methanol
CID 146258000
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide?
The IUPAC name of 4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide (CID 70982585) is 4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide is CN1CCC(Oc2ccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccccc5)ccc34)cc2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide?
The InChIKey is OLXANVNHYPFAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-33-15-13-24(14-16-33)37-23-9-7-22(8-10-23)29(34)30-28-26-12-11-25(19-27(26)31-32-28)36-18-17-35-20-21-5-3-2-4-6-21/h2-12,19,24H,13-18,20H2,1H3,(H2,30,31,32,34).
What are the key properties of 4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide?
4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide has a molecular weight of 500.60 g/mol, XLogP of 4.88, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)oxy-N-[6-(2-phenylmethoxyethoxy)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 70982585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).