3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole

C20H19FN6 — CID 10021535

IUPAC3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CN5CCCC5)n4)cc23)cc1
InChIInChI=1S/C20H19FN6/c21-15-6-3-13(4-7-15)19-16-11-14(5-8-17(16)23-25-19)20-22-18(24-26-20)12-27-9-1-2-10-27/h3-8,11H,1-2,9-10,12H2,(H,23,25)(H,22,24,26)
InChIKeyGDRSAYYDIMBYNZ-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.75
Rot. Bonds4

About 3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole

3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (PubChem CID 10021535) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
PubChem CID10021535
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CN5CCCC5)n4)cc23)cc1
InChIInChI=1S/C20H19FN6/c21-15-6-3-13(4-7-15)19-16-11-14(5-8-17(16)23-25-19)20-22-18(24-26-20)12-27-9-1-2-10-27/h3-8,11H,1-2,9-10,12H2,(H,23,25)(H,22,24,26)
InChIKeyGDRSAYYDIMBYNZ-UHFFFAOYSA-N
XLogP3.75
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (CID 10021535) is 3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CN5CCCC5)n4)cc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The InChIKey is GDRSAYYDIMBYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c21-15-6-3-13(4-7-15)19-16-11-14(5-8-17(16)23-25-19)20-22-18(24-26-20)12-27-9-1-2-10-27/h3-8,11H,1-2,9-10,12H2,(H,23,25)(H,22,24,26).
What are the key properties of 3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole has a molecular weight of 362.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is sourced from PubChem (CID 10021535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).