4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide

C26H27N5O2 — CID 58135518

IUPAC4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide
SMILESCOc1ccccc1-c1ccc2c(NC(=O)N3CCN(Cc4ccccc4)CC3)n[nH]c2c1
InChIInChI=1S/C26H27N5O2/c1-33-24-10-6-5-9-21(24)20-11-12-22-23(17-20)28-29-25(22)27-26(32)31-15-13-30(14-16-31)18-19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3,(H2,27,28,29,32)
InChIKeyLVMLPCGOTBEJJG-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.59
Rot. Bonds5

About 4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide

4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide (PubChem CID 58135518) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide
PubChem CID58135518
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide
SMILESCOc1ccccc1-c1ccc2c(NC(=O)N3CCN(Cc4ccccc4)CC3)n[nH]c2c1
InChIInChI=1S/C26H27N5O2/c1-33-24-10-6-5-9-21(24)20-11-12-22-23(17-20)28-29-25(22)27-26(32)31-15-13-30(14-16-31)18-19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3,(H2,27,28,29,32)
InChIKeyLVMLPCGOTBEJJG-UHFFFAOYSA-N
XLogP4.59
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide (CID 58135518) is 4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide is COc1ccccc1-c1ccc2c(NC(=O)N3CCN(Cc4ccccc4)CC3)n[nH]c2c1.
What is the InChIKey of 4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide?
The InChIKey is LVMLPCGOTBEJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-33-24-10-6-5-9-21(24)20-11-12-22-23(17-20)28-29-25(22)27-26(32)31-15-13-30(14-16-31)18-19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3,(H2,27,28,29,32).
What are the key properties of 4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide?
4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 58135518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).