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

C17H25N3OS — CID 97381627

IUPAC1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCc1ccc(CN2CCc3c(COC(C)C)nn(C)c3C2)s1
InChIInChI=1S/C17H25N3OS/c1-12(2)21-11-16-15-7-8-20(10-17(15)19(4)18-16)9-14-6-5-13(3)22-14/h5-6,12H,7-11H2,1-4H3
InChIKeyPTTXGIXEOTVREU-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.27
Rot. Bonds5

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

1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 97381627) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID97381627
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCc1ccc(CN2CCc3c(COC(C)C)nn(C)c3C2)s1
InChIInChI=1S/C17H25N3OS/c1-12(2)21-11-16-15-7-8-20(10-17(15)19(4)18-16)9-14-6-5-13(3)22-14/h5-6,12H,7-11H2,1-4H3
InChIKeyPTTXGIXEOTVREU-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 97381627) is 1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is Cc1ccc(CN2CCc3c(COC(C)C)nn(C)c3C2)s1.
What is the InChIKey of 1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is PTTXGIXEOTVREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-12(2)21-11-16-15-7-8-20(10-17(15)19(4)18-16)9-14-6-5-13(3)22-14/h5-6,12H,7-11H2,1-4H3.
What are the key properties of 1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 319.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97381627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).