(7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

C14H19N3OS — CID 97382646

IUPAC(7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCOC[C@H]1CN(Cc2cccs2)Cc2cnn(C)c21
InChIInChI=1S/C14H19N3OS/c1-16-14-11(6-15-16)7-17(8-12(14)10-18-2)9-13-4-3-5-19-13/h3-6,12H,7-10H2,1-2H3/t12-/m1/s1
InChIKeyXXSQANJEYINRAE-GFCCVEGCSA-N
MW277.39 g/mol
LogP2.23
Rot. Bonds4

About (7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

(7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 97382646) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID97382646
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCOC[C@H]1CN(Cc2cccs2)Cc2cnn(C)c21
InChIInChI=1S/C14H19N3OS/c1-16-14-11(6-15-16)7-17(8-12(14)10-18-2)9-13-4-3-5-19-13/h3-6,12H,7-10H2,1-2H3/t12-/m1/s1
InChIKeyXXSQANJEYINRAE-GFCCVEGCSA-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 (7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of (7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 97382646) is (7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for (7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for (7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is COC[C@H]1CN(Cc2cccs2)Cc2cnn(C)c21.
What is the InChIKey of (7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is XXSQANJEYINRAE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-16-14-11(6-15-16)7-17(8-12(14)10-18-2)9-13-4-3-5-19-13/h3-6,12H,7-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
(7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-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 (7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 97382646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).