1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone

C15H19N3O2S — CID 118741010

IUPAC1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone
SMILESCOCC1CN(C(=O)Cc2ccsc2)Cc2c1cnn2C
InChIInChI=1S/C15H19N3O2S/c1-17-14-8-18(15(19)5-11-3-4-21-10-11)7-12(9-20-2)13(14)6-16-17/h3-4,6,10,12H,5,7-9H2,1-2H3
InChIKeyLELPDGOXLOZUEW-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.80
Rot. Bonds4

About 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone

1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone (PubChem CID 118741010) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone
PubChem CID118741010
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone
SMILESCOCC1CN(C(=O)Cc2ccsc2)Cc2c1cnn2C
InChIInChI=1S/C15H19N3O2S/c1-17-14-8-18(15(19)5-11-3-4-21-10-11)7-12(9-20-2)13(14)6-16-17/h3-4,6,10,12H,5,7-9H2,1-2H3
InChIKeyLELPDGOXLOZUEW-UHFFFAOYSA-N
XLogP1.80
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118739519
[7-(cyclopropylmethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 118738859
7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739277
7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739284
7-(methoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739290
[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
CID 118739455
[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
CID 118739466
7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118739548
1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 118739634
1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739696
[7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 118739764
1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 118739805

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone (CID 118741010) is 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone is COCC1CN(C(=O)Cc2ccsc2)Cc2c1cnn2C.
What is the InChIKey of 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone?
The InChIKey is LELPDGOXLOZUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-17-14-8-18(15(19)5-11-3-4-21-10-11)7-12(9-20-2)13(14)6-16-17/h3-4,6,10,12H,5,7-9H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone?
1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone has a molecular weight of 305.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 118741010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).