4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole

C20H21N3O2 — CID 155432804

IUPAC4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole
SMILESc1cc(CN2CCCC2c2ccc3c(c2)OCCO3)c2cn[nH]c2c1
InChIInChI=1S/C20H21N3O2/c1-3-15(16-12-21-22-17(16)4-1)13-23-8-2-5-18(23)14-6-7-19-20(11-14)25-10-9-24-19/h1,3-4,6-7,11-12,18H,2,5,8-10,13H2,(H,21,22)
InChIKeyKRNXGPQIEGAPOE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.67
Rot. Bonds3

About 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole

4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole (PubChem CID 155432804) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole.

Molecular Properties

Compound Name4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole
PubChem CID155432804
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole
SMILESc1cc(CN2CCCC2c2ccc3c(c2)OCCO3)c2cn[nH]c2c1
InChIInChI=1S/C20H21N3O2/c1-3-15(16-12-21-22-17(16)4-1)13-23-8-2-5-18(23)14-6-7-19-20(11-14)25-10-9-24-19/h1,3-4,6-7,11-12,18H,2,5,8-10,13H2,(H,21,22)
InChIKeyKRNXGPQIEGAPOE-UHFFFAOYSA-N
XLogP3.67
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole?
The IUPAC name of 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole (CID 155432804) is 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole.
What is the SMILES notation for 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole?
The canonical SMILES for 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole is c1cc(CN2CCCC2c2ccc3c(c2)OCCO3)c2cn[nH]c2c1.
What is the InChIKey of 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole?
The InChIKey is KRNXGPQIEGAPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-15(16-12-21-22-17(16)4-1)13-23-8-2-5-18(23)14-6-7-19-20(11-14)25-10-9-24-19/h1,3-4,6-7,11-12,18H,2,5,8-10,13H2,(H,21,22).
What are the key properties of 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole?
4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole has a molecular weight of 335.41 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1H-indazole is sourced from PubChem (CID 155432804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).