4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide

C27H29N5O2 — CID 91801169

IUPAC4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5cccc(OC)c5)ccc34)cc2)CC1
InChIInChI=1S/C27H29N5O2/c1-3-31-13-15-32(16-14-31)22-10-7-19(8-11-22)27(33)28-26-24-12-9-21(18-25(24)29-30-26)20-5-4-6-23(17-20)34-2/h4-12,17-18H,3,13-16H2,1-2H3,(H2,28,29,30,33)
InChIKeyLDEZCHXBGZHBFD-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.63
Rot. Bonds6

About 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide

4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide (PubChem CID 91801169) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
PubChem CID91801169
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5cccc(OC)c5)ccc34)cc2)CC1
InChIInChI=1S/C27H29N5O2/c1-3-31-13-15-32(16-14-31)22-10-7-19(8-11-22)27(33)28-26-24-12-9-21(18-25(24)29-30-26)20-5-4-6-23(17-20)34-2/h4-12,17-18H,3,13-16H2,1-2H3,(H2,28,29,30,33)
InChIKeyLDEZCHXBGZHBFD-UHFFFAOYSA-N
XLogP4.63
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide (CID 91801169) is 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide is CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5cccc(OC)c5)ccc34)cc2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide?
The InChIKey is LDEZCHXBGZHBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-3-31-13-15-32(16-14-31)22-10-7-19(8-11-22)27(33)28-26-24-12-9-21(18-25(24)29-30-26)20-5-4-6-23(17-20)34-2/h4-12,17-18H,3,13-16H2,1-2H3,(H2,28,29,30,33).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide?
4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 91801169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).