6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole

C19H19N3O2 — CID 127720385

IUPAC6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole
SMILESc1cc2cn[nH]c2cc1CN1CCCC1c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O2/c1-2-17(14-5-6-18-19(9-14)24-12-23-18)22(7-1)11-13-3-4-15-10-20-21-16(15)8-13/h3-6,8-10,17H,1-2,7,11-12H2,(H,20,21)
InChIKeyFNJVGAGZDPFONW-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.63
Rot. Bonds3

About 6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole

6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole (PubChem CID 127720385) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole.

Molecular Properties

Compound Name6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole
PubChem CID127720385
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole
SMILESc1cc2cn[nH]c2cc1CN1CCCC1c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O2/c1-2-17(14-5-6-18-19(9-14)24-12-23-18)22(7-1)11-13-3-4-15-10-20-21-16(15)8-13/h3-6,8-10,17H,1-2,7,11-12H2,(H,20,21)
InChIKeyFNJVGAGZDPFONW-UHFFFAOYSA-N
XLogP3.63
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one
CID 146419625
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789
5-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrimidine
CID 146419445
1-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrazole
CID 146419273
6-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 146419768
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone
CID 25388525
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
CID 146419289
5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 41137505
1-[2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrimidin-5-yl]propan-1-one
CID 160697359
5-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine
CID 146419494
4-(1,3-benzodioxol-5-ylmethyl)-N-(1H-indazol-6-yl)piperazine-1-carboxamide
CID 72850721
(2S)-2-(1,3-benzodioxol-5-yl)-1-(2-tert-butylsulfanylethyl)pyrrolidine
CID 100751209

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole?
The IUPAC name of 6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole (CID 127720385) is 6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole.
What is the SMILES notation for 6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole?
The canonical SMILES for 6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole is c1cc2cn[nH]c2cc1CN1CCCC1c1ccc2c(c1)OCO2.
What is the InChIKey of 6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole?
The InChIKey is FNJVGAGZDPFONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-17(14-5-6-18-19(9-14)24-12-23-18)22(7-1)11-13-3-4-15-10-20-21-16(15)8-13/h3-6,8-10,17H,1-2,7,11-12H2,(H,20,21).
What are the key properties of 6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole?
6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole has a molecular weight of 321.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole is sourced from PubChem (CID 127720385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).