3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole

C23H23N3 — CID 22626794

IUPAC3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole
SMILESCN1CCC(c2[nH]nc3ccc(-c4ccc5ccccc5c4)cc23)CC1
InChIInChI=1S/C23H23N3/c1-26-12-10-17(11-13-26)23-21-15-20(8-9-22(21)24-25-23)19-7-6-16-4-2-3-5-18(16)14-19/h2-9,14-15,17H,10-13H2,1H3,(H,24,25)
InChIKeyKHHXWEKGAUGFHM-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.19
Rot. Bonds2

About 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole

3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole (PubChem CID 22626794) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole
PubChem CID22626794
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole
SMILESCN1CCC(c2[nH]nc3ccc(-c4ccc5ccccc5c4)cc23)CC1
InChIInChI=1S/C23H23N3/c1-26-12-10-17(11-13-26)23-21-15-20(8-9-22(21)24-25-23)19-7-6-16-4-2-3-5-18(16)14-19/h2-9,14-15,17H,10-13H2,1H3,(H,24,25)
InChIKeyKHHXWEKGAUGFHM-UHFFFAOYSA-N
XLogP5.19
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole (CID 22626794) is 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole is CN1CCC(c2[nH]nc3ccc(-c4ccc5ccccc5c4)cc23)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole?
The InChIKey is KHHXWEKGAUGFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-26-12-10-17(11-13-26)23-21-15-20(8-9-22(21)24-25-23)19-7-6-16-4-2-3-5-18(16)14-19/h2-9,14-15,17H,10-13H2,1H3,(H,24,25).
What are the key properties of 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole?
3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole has a molecular weight of 341.46 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-5-naphthalen-2-yl-2H-indazole is sourced from PubChem (CID 22626794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).