1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

C16H23N3O2 — CID 118739279

IUPAC1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCn1ncc2c1C(COC)CN(Cc1ccc(C)o1)C2
InChIInChI=1S/C16H23N3O2/c1-4-19-16-13(7-17-19)8-18(9-14(16)11-20-3)10-15-6-5-12(2)21-15/h5-7,14H,4,8-11H2,1-3H3
InChIKeyVNVAPJXGTMCVFW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.55
Rot. Bonds5

About 1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 118739279) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID118739279
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCn1ncc2c1C(COC)CN(Cc1ccc(C)o1)C2
InChIInChI=1S/C16H23N3O2/c1-4-19-16-13(7-17-19)8-18(9-14(16)11-20-3)10-15-6-5-12(2)21-15/h5-7,14H,4,8-11H2,1-3H3
InChIKeyVNVAPJXGTMCVFW-UHFFFAOYSA-N
XLogP2.55
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 118739279) is 1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is CCn1ncc2c1C(COC)CN(Cc1ccc(C)o1)C2.
What is the InChIKey of 1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is VNVAPJXGTMCVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-19-16-13(7-17-19)8-18(9-14(16)11-20-3)10-15-6-5-12(2)21-15/h5-7,14H,4,8-11H2,1-3H3.
What are the key properties of 1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 289.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 118739279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).