3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole

C15H22N4O2 — CID 118739406

IUPAC3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole
SMILESCCOCC1CN(Cc2cc(C)on2)Cc2cn(C)nc21
InChIInChI=1S/C15H22N4O2/c1-4-20-10-13-8-19(9-14-5-11(2)21-17-14)7-12-6-18(3)16-15(12)13/h5-6,13H,4,7-10H2,1-3H3
InChIKeyKJVVNVKLWQZVPW-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.85
Rot. Bonds5

About 3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole

3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 118739406) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID118739406
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole
SMILESCCOCC1CN(Cc2cc(C)on2)Cc2cn(C)nc21
InChIInChI=1S/C15H22N4O2/c1-4-20-10-13-8-19(9-14-5-11(2)21-17-14)7-12-6-18(3)16-15(12)13/h5-6,13H,4,7-10H2,1-3H3
InChIKeyKJVVNVKLWQZVPW-UHFFFAOYSA-N
XLogP1.85
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole (CID 118739406) is 3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole is CCOCC1CN(Cc2cc(C)on2)Cc2cn(C)nc21.
What is the InChIKey of 3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is KJVVNVKLWQZVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-20-10-13-8-19(9-14-5-11(2)21-17-14)7-12-6-18(3)16-15(12)13/h5-6,13H,4,7-10H2,1-3H3.
What are the key properties of 3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole?
3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 290.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 118739406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).