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

C21H21FN4 — CID 118382679

IUPAC5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole
SMILESFc1ccc2c(-c3ccc4c(cnn4CC4CCNCC4)c3)c[nH]c2c1
InChIInChI=1S/C21H21FN4/c22-17-2-3-18-19(12-24-20(18)10-17)15-1-4-21-16(9-15)11-25-26(21)13-14-5-7-23-8-6-14/h1-4,9-12,14,23-24H,5-8,13H2
InChIKeyYAUVHGJEMOCRSF-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.32
Rot. Bonds3

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

5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole (PubChem CID 118382679) 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)-1-(piperidin-4-ylmethyl)indazole.

Molecular Properties

Compound Name5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole
PubChem CID118382679
Molecular FormulaC21H21FN4
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole
SMILESFc1ccc2c(-c3ccc4c(cnn4CC4CCNCC4)c3)c[nH]c2c1
InChIInChI=1S/C21H21FN4/c22-17-2-3-18-19(12-24-20(18)10-17)15-1-4-21-16(9-15)11-25-26(21)13-14-5-7-23-8-6-14/h1-4,9-12,14,23-24H,5-8,13H2
InChIKeyYAUVHGJEMOCRSF-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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Related Compounds

6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole
CID 118060606
6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole
CID 118060550
6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole
CID 118292975
tert-butyl 4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidine-1-carboxylate
CID 118382763
3-[3,5-dimethyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-6-fluoro-1H-indole;6-fluoro-3-[1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazol-4-yl]-1H-indole
CID 161239350
6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane
CID 159037937
2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol
CID 118060628
5-fluoro-1-(piperidin-2-ylmethyl)indazole
CID 84796127
1-(azetidin-3-ylmethyl)-6-fluoroindazole
CID 141365019
6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
CID 91827423
tert-butyl 4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidine-1-carboxylate
CID 118395458
2,3-dimethyl-4-[5-[1-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 175142509

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole?
The IUPAC name of 5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole (CID 118382679) is 5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole.
What is the SMILES notation for 5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole?
The canonical SMILES for 5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole is Fc1ccc2c(-c3ccc4c(cnn4CC4CCNCC4)c3)c[nH]c2c1.
What is the InChIKey of 5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole?
The InChIKey is YAUVHGJEMOCRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4/c22-17-2-3-18-19(12-24-20(18)10-17)15-1-4-21-16(9-15)11-25-26(21)13-14-5-7-23-8-6-14/h1-4,9-12,14,23-24H,5-8,13H2.
What are the key properties of 5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole?
5-(6-fluoro-1H-indol-3-yl)-1-(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)-1-(piperidin-4-ylmethyl)indazole is sourced from PubChem (CID 118382679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).