methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate

C20H21N3O2 — CID 44550352

IUPACmethyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate
SMILESCOC(=O)c1cccc2cn(-c3ccc(C4CCNCC4)cc3)nc12
InChIInChI=1S/C20H21N3O2/c1-25-20(24)18-4-2-3-16-13-23(22-19(16)18)17-7-5-14(6-8-17)15-9-11-21-12-10-15/h2-8,13,15,21H,9-12H2,1H3
InChIKeyVHFXQOGJCGWOTN-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.28
Rot. Bonds3

About methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate

methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate (PubChem CID 44550352) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate
PubChem CID44550352
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Namemethyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate
SMILESCOC(=O)c1cccc2cn(-c3ccc(C4CCNCC4)cc3)nc12
InChIInChI=1S/C20H21N3O2/c1-25-20(24)18-4-2-3-16-13-23(22-19(16)18)17-7-5-14(6-8-17)15-9-11-21-12-10-15/h2-8,13,15,21H,9-12H2,1H3
InChIKeyVHFXQOGJCGWOTN-UHFFFAOYSA-N
XLogP3.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate?
The IUPAC name of methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate (CID 44550352) is methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate.
What is the SMILES notation for methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate?
The canonical SMILES for methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate is COC(=O)c1cccc2cn(-c3ccc(C4CCNCC4)cc3)nc12.
What is the InChIKey of methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate?
The InChIKey is VHFXQOGJCGWOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-20(24)18-4-2-3-16-13-23(22-19(16)18)17-7-5-14(6-8-17)15-9-11-21-12-10-15/h2-8,13,15,21H,9-12H2,1H3.
What are the key properties of methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate?
methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate has a molecular weight of 335.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate is sourced from PubChem (CID 44550352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).