6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C19H25N3O3 — CID 131639251

IUPAC6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCCOCC1CN(Cc2ccc3c(c2)OCO3)Cc2c1cnn2CC
InChIInChI=1S/C19H25N3O3/c1-3-22-17-11-21(10-15(12-23-4-2)16(17)8-20-22)9-14-5-6-18-19(7-14)25-13-24-18/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyFYOSDQYRWCQLFI-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.77
Rot. Bonds6

About 6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 131639251) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID131639251
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCCOCC1CN(Cc2ccc3c(c2)OCO3)Cc2c1cnn2CC
InChIInChI=1S/C19H25N3O3/c1-3-22-17-11-21(10-15(12-23-4-2)16(17)8-20-22)9-14-5-6-18-19(7-14)25-13-24-18/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyFYOSDQYRWCQLFI-UHFFFAOYSA-N
XLogP2.77
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97368057
5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739314
(7S)-5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97390592
5-(2-ethoxyethyl)-1,3-benzodioxole
CID 122402641
2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 133142916
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
(7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124796390
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-ethoxyphenol
CID 1377058
1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 131653338
1-(1,3-benzodioxol-5-ylmethyl)-4-methylpyrrolidin-3-amine
CID 103575187
4-(1,3-benzodioxol-5-ylmethyl)-1-ethylpiperazin-2-one
CID 117013566
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 131639251) is 6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is CCOCC1CN(Cc2ccc3c(c2)OCO3)Cc2c1cnn2CC.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is FYOSDQYRWCQLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-22-17-11-21(10-15(12-23-4-2)16(17)8-20-22)9-14-5-6-18-19(7-14)25-13-24-18/h5-8,15H,3-4,9-13H2,1-2H3.
What are the key properties of 6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 343.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 131639251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).