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

C18H23N3O3 — CID 97368057

IUPAC(4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCCn1ncc2c1CN(Cc1ccc3c(c1)OCO3)C[C@@H]2COC
InChIInChI=1S/C18H23N3O3/c1-3-21-16-10-20(9-14(11-22-2)15(16)7-19-21)8-13-4-5-17-18(6-13)24-12-23-17/h4-7,14H,3,8-12H2,1-2H3/t14-/m1/s1
InChIKeyDJJKKFILDNMUMW-CQSZACIVSA-N
MW329.40 g/mol
LogP2.38
Rot. Bonds5

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

(4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 97368057) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name(4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID97368057
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCCn1ncc2c1CN(Cc1ccc3c(c1)OCO3)C[C@@H]2COC
InChIInChI=1S/C18H23N3O3/c1-3-21-16-10-20(9-14(11-22-2)15(16)7-19-21)8-13-4-5-17-18(6-13)24-12-23-17/h4-7,14H,3,8-12H2,1-2H3/t14-/m1/s1
InChIKeyDJJKKFILDNMUMW-CQSZACIVSA-N
XLogP2.38
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-benzodioxol-5-ylmethyl)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 131639251
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
1-(cyclopropylmethyl)-4-(methoxymethyl)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 131653338
(7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124796390
(3S)-8-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97417981
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
1-ethyl-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118745885
methyl (2S)-1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carboxylate
CID 139239851
1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655914
1-(1,3-benzodioxol-5-ylmethyl)-4-methylpyrrolidin-3-amine
CID 103575187
N-[[(7R)-5-(1,3-benzodioxol-5-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide
CID 124789770

Frequently Asked Questions

What is the IUPAC name of (4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of (4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 97368057) is (4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for (4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for (4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is CCn1ncc2c1CN(Cc1ccc3c(c1)OCO3)C[C@@H]2COC.
What is the InChIKey of (4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is DJJKKFILDNMUMW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-21-16-10-20(9-14(11-22-2)15(16)7-19-21)8-13-4-5-17-18(6-13)24-12-23-17/h4-7,14H,3,8-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
(4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 329.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97368057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).