5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole

C21H21FN4 — CID 118382588

IUPAC5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole
SMILESFc1ccc2c(-c3ccc4nn(CC5CCNCC5)cc4c3)c[nH]c2c1
InChIInChI=1S/C21H21FN4/c22-17-2-3-18-19(11-24-21(18)10-17)15-1-4-20-16(9-15)13-26(25-20)12-14-5-7-23-8-6-14/h1-4,9-11,13-14,23-24H,5-8,12H2
InChIKeyOOIDVRJVTCFVHI-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.32
Rot. Bonds3

About 5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole

5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole (PubChem CID 118382588) has the molecular formula C21H21FN4 and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole.

Molecular Properties

Compound Name5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole
PubChem CID118382588
Molecular FormulaC21H21FN4
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole
SMILESFc1ccc2c(-c3ccc4nn(CC5CCNCC5)cc4c3)c[nH]c2c1
InChIInChI=1S/C21H21FN4/c22-17-2-3-18-19(11-24-21(18)10-17)15-1-4-20-16(9-15)13-26(25-20)12-14-5-7-23-8-6-14/h1-4,9-11,13-14,23-24H,5-8,12H2
InChIKeyOOIDVRJVTCFVHI-UHFFFAOYSA-N
XLogP4.32
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole?
The IUPAC name of 5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole (CID 118382588) is 5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole.
What is the SMILES notation for 5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole?
The canonical SMILES for 5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole is Fc1ccc2c(-c3ccc4nn(CC5CCNCC5)cc4c3)c[nH]c2c1.
What is the InChIKey of 5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole?
The InChIKey is OOIDVRJVTCFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4/c22-17-2-3-18-19(11-24-21(18)10-17)15-1-4-20-16(9-15)13-26(25-20)12-14-5-7-23-8-6-14/h1-4,9-11,13-14,23-24H,5-8,12H2.
What are the key properties of 5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole?
5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole has a molecular weight of 348.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)indazole is sourced from PubChem (CID 118382588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).