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[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone

C15H20N4O2S — CID 131641089

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCOCC1CN(C(=O)c2cscn2)Cc2cn(CC)nc21
InChIInChI=1S/C15H20N4O2S/c1-3-19-7-11-5-18(15(20)13-9-22-10-16-13)6-12(8-21-4-2)14(11)17-19/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyUKFAWJLXORGRSG-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.14
Rot. Bonds5

About [7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone

[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 131641089) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is [7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID131641089
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCOCC1CN(C(=O)c2cscn2)Cc2cn(CC)nc21
InChIInChI=1S/C15H20N4O2S/c1-3-19-7-11-5-18(15(20)13-9-22-10-16-13)6-12(8-21-4-2)14(11)17-19/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyUKFAWJLXORGRSG-UHFFFAOYSA-N
XLogP2.14
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone (CID 131641089) is [7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone is CCOCC1CN(C(=O)c2cscn2)Cc2cn(CC)nc21.
What is the InChIKey of [7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is UKFAWJLXORGRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-19-7-11-5-18(15(20)13-9-22-10-16-13)6-12(8-21-4-2)14(11)17-19/h7,9-10,12H,3-6,8H2,1-2H3.
What are the key properties of [7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 320.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131641089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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