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

C16H21N3O3 — CID 118739389

IUPAC[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone
SMILESCCOCC1CN(C(=O)c2ccoc2C)Cc2cnn(C)c21
InChIInChI=1S/C16H21N3O3/c1-4-21-10-13-9-19(8-12-7-17-18(3)15(12)13)16(20)14-5-6-22-11(14)2/h5-7,13H,4,8-10H2,1-3H3
InChIKeyREPOOVCEQSSVTQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.10
Rot. Bonds4

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

[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 118739389) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone
PubChem CID118739389
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone
SMILESCCOCC1CN(C(=O)c2ccoc2C)Cc2cnn(C)c21
InChIInChI=1S/C16H21N3O3/c1-4-21-10-13-9-19(8-12-7-17-18(3)15(12)13)16(20)14-5-6-22-11(14)2/h5-7,13H,4,8-10H2,1-3H3
InChIKeyREPOOVCEQSSVTQ-UHFFFAOYSA-N
XLogP2.10
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone (CID 118739389) is [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone is CCOCC1CN(C(=O)c2ccoc2C)Cc2cnn(C)c21.
What is the InChIKey of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is REPOOVCEQSSVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-21-10-13-9-19(8-12-7-17-18(3)15(12)13)16(20)14-5-6-22-11(14)2/h5-7,13H,4,8-10H2,1-3H3.
What are the key properties of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone?
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 303.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 118739389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).