7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C14H19N3OS — CID 118739548

IUPAC7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCC1c2c(cnn2C)CCN1Cc1ccsc1
InChIInChI=1S/C14H19N3OS/c1-16-14-12(7-15-16)3-5-17(13(14)9-18-2)8-11-4-6-19-10-11/h4,6-7,10,13H,3,5,8-9H2,1-2H3
InChIKeyBUFIPDXQCAIINI-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.23
Rot. Bonds4

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

7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 118739548) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID118739548
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCC1c2c(cnn2C)CCN1Cc1ccsc1
InChIInChI=1S/C14H19N3OS/c1-16-14-12(7-15-16)3-5-17(13(14)9-18-2)8-11-4-6-19-10-11/h4,6-7,10,13H,3,5,8-9H2,1-2H3
InChIKeyBUFIPDXQCAIINI-UHFFFAOYSA-N
XLogP2.23
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 118739548) is 7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is COCC1c2c(cnn2C)CCN1Cc1ccsc1.
What is the InChIKey of 7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is BUFIPDXQCAIINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-16-14-12(7-15-16)3-5-17(13(14)9-18-2)8-11-4-6-19-10-11/h4,6-7,10,13H,3,5,8-9H2,1-2H3.
What are the key properties of 7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 277.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 118739548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).