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

C15H19N3O2S — CID 118739466

IUPAC[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
SMILESCCOCC1CN(C(=O)c2ccsc2)Cc2nn(C)cc21
InChIInChI=1S/C15H19N3O2S/c1-3-20-9-12-6-18(15(19)11-4-5-21-10-11)8-14-13(12)7-17(2)16-14/h4-5,7,10,12H,3,6,8-9H2,1-2H3
InChIKeySEMGRSYSOPQMTD-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.26
Rot. Bonds4

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

[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone (PubChem CID 118739466) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
PubChem CID118739466
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
SMILESCCOCC1CN(C(=O)c2ccsc2)Cc2nn(C)cc21
InChIInChI=1S/C15H19N3O2S/c1-3-20-9-12-6-18(15(19)11-4-5-21-10-11)8-14-13(12)7-17(2)16-14/h4-5,7,10,12H,3,6,8-9H2,1-2H3
InChIKeySEMGRSYSOPQMTD-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[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-(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
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-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 118740776
1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone
CID 118741009
1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone
CID 118741010
1-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone
CID 118743841
[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
CID 118744707

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone (CID 118739466) is [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone is CCOCC1CN(C(=O)c2ccsc2)Cc2nn(C)cc21.
What is the InChIKey of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone?
The InChIKey is SEMGRSYSOPQMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-20-9-12-6-18(15(19)11-4-5-21-10-11)8-14-13(12)7-17(2)16-14/h4-5,7,10,12H,3,6,8-9H2,1-2H3.
What are the key properties of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone?
[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone has a molecular weight of 305.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 118739466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).