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

C17H25N3OS — CID 97381639

IUPAC3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCc1nn(C(C)C)c2c1CCN(Cc1ccc(C)s1)C2
InChIInChI=1S/C17H25N3OS/c1-12(2)20-17-10-19(9-14-6-5-13(3)22-14)8-7-15(17)16(18-20)11-21-4/h5-6,12H,7-11H2,1-4H3
InChIKeyYBIBXHNMAUKCEA-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.54
Rot. Bonds5

About 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 97381639) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID97381639
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCc1nn(C(C)C)c2c1CCN(Cc1ccc(C)s1)C2
InChIInChI=1S/C17H25N3OS/c1-12(2)20-17-10-19(9-14-6-5-13(3)22-14)8-7-15(17)16(18-20)11-21-4/h5-6,12H,7-11H2,1-4H3
InChIKeyYBIBXHNMAUKCEA-UHFFFAOYSA-N
XLogP3.54
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 97381639) is 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is COCc1nn(C(C)C)c2c1CCN(Cc1ccc(C)s1)C2.
What is the InChIKey of 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is YBIBXHNMAUKCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-12(2)20-17-10-19(9-14-6-5-13(3)22-14)8-7-15(17)16(18-20)11-21-4/h5-6,12H,7-11H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 319.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97381639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).