4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

C16H22N4O — CID 118746821

IUPAC4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCOCC1CN(Cc2cccnc2)Cc2nn(C)cc21
InChIInChI=1S/C16H22N4O/c1-3-21-12-14-9-20(8-13-5-4-6-17-7-13)11-16-15(14)10-19(2)18-16/h4-7,10,14H,3,8-9,11-12H2,1-2H3
InChIKeySMCVGWCNBPRYGY-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.95
Rot. Bonds5

About 4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (PubChem CID 118746821) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
PubChem CID118746821
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCOCC1CN(Cc2cccnc2)Cc2nn(C)cc21
InChIInChI=1S/C16H22N4O/c1-3-21-12-14-9-20(8-13-5-4-6-17-7-13)11-16-15(14)10-19(2)18-16/h4-7,10,14H,3,8-9,11-12H2,1-2H3
InChIKeySMCVGWCNBPRYGY-UHFFFAOYSA-N
XLogP1.95
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (CID 118746821) is 4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is CCOCC1CN(Cc2cccnc2)Cc2nn(C)cc21.
What is the InChIKey of 4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The InChIKey is SMCVGWCNBPRYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-21-12-14-9-20(8-13-5-4-6-17-7-13)11-16-15(14)10-19(2)18-16/h4-7,10,14H,3,8-9,11-12H2,1-2H3.
What are the key properties of 4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine has a molecular weight of 286.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-2-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 118746821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).