3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide

C21H24N4O2 — CID 22479726

IUPAC3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(OCCN4CCCCC4)c3)c2c1
InChIInChI=1S/C21H24N4O2/c22-21(26)16-7-8-19-18(14-16)20(24-23-19)15-5-4-6-17(13-15)27-12-11-25-9-2-1-3-10-25/h4-8,13-14H,1-3,9-12H2,(H2,22,26)(H,23,24)
InChIKeyQXGJVXWGUUKVOW-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.19
Rot. Bonds6

About 3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide

3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide (PubChem CID 22479726) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide
PubChem CID22479726
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(OCCN4CCCCC4)c3)c2c1
InChIInChI=1S/C21H24N4O2/c22-21(26)16-7-8-19-18(14-16)20(24-23-19)15-5-4-6-17(13-15)27-12-11-25-9-2-1-3-10-25/h4-8,13-14H,1-3,9-12H2,(H2,22,26)(H,23,24)
InChIKeyQXGJVXWGUUKVOW-UHFFFAOYSA-N
XLogP3.19
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide (CID 22479726) is 3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide is NC(=O)c1ccc2[nH]nc(-c3cccc(OCCN4CCCCC4)c3)c2c1.
What is the InChIKey of 3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide?
The InChIKey is QXGJVXWGUUKVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-21(26)16-7-8-19-18(14-16)20(24-23-19)15-5-4-6-17(13-15)27-12-11-25-9-2-1-3-10-25/h4-8,13-14H,1-3,9-12H2,(H2,22,26)(H,23,24).
What are the key properties of 3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide?
3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 22479726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).