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

C15H19N3O2S — CID 118739455

IUPAC[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
SMILESCCOCC1CN(C(=O)c2cccs2)Cc2nn(C)cc21
InChIInChI=1S/C15H19N3O2S/c1-3-20-10-11-7-18(15(19)14-5-4-6-21-14)9-13-12(11)8-17(2)16-13/h4-6,8,11H,3,7,9-10H2,1-2H3
InChIKeyZJDYKGANOADJHG-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-2-ylmethanone

[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-2-ylmethanone (PubChem CID 118739455) 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-2-ylmethanone.

Molecular Properties

Compound Name[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
PubChem CID118739455
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-2-ylmethanone
SMILESCCOCC1CN(C(=O)c2cccs2)Cc2nn(C)cc21
InChIInChI=1S/C15H19N3O2S/c1-3-20-10-11-7-18(15(19)14-5-4-6-21-14)9-13-12(11)8-17(2)16-13/h4-6,8,11H,3,7,9-10H2,1-2H3
InChIKeyZJDYKGANOADJHG-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

4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118739519
(4,5-dimethylthiophen-2-yl){4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}methanone
CID 19585599
[7-(cyclopropylmethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 118738859
[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
CID 118739466
1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 118739634
[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-[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone
CID 118740818
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-2-ylmethanone?
The IUPAC name of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-2-ylmethanone (CID 118739455) is [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-2-ylmethanone is CCOCC1CN(C(=O)c2cccs2)Cc2nn(C)cc21.
What is the InChIKey of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-2-ylmethanone?
The InChIKey is ZJDYKGANOADJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-20-10-11-7-18(15(19)14-5-4-6-21-14)9-13-12(11)8-17(2)16-13/h4-6,8,11H,3,7,9-10H2,1-2H3.
What are the key properties of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-2-ylmethanone?
[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-2-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-2-ylmethanone is sourced from PubChem (CID 118739455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).