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

C16H25N3O3 — CID 118739390

IUPAC[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone
SMILESCCOCC1CN(C(=O)C2CCOCC2)Cc2cnn(C)c21
InChIInChI=1S/C16H25N3O3/c1-3-21-11-14-10-19(9-13-8-17-18(2)15(13)14)16(20)12-4-6-22-7-5-12/h8,12,14H,3-7,9-11H2,1-2H3
InChIKeyQUZXSOGRQGBPOU-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.31
Rot. Bonds4

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

[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone (PubChem CID 118739390) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone
PubChem CID118739390
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone
SMILESCCOCC1CN(C(=O)C2CCOCC2)Cc2cnn(C)c21
InChIInChI=1S/C16H25N3O3/c1-3-21-11-14-10-19(9-13-8-17-18(2)15(13)14)16(20)12-4-6-22-7-5-12/h8,12,14H,3-7,9-11H2,1-2H3
InChIKeyQUZXSOGRQGBPOU-UHFFFAOYSA-N
XLogP1.31
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.31
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]-(oxan-4-yl)methanone?
The IUPAC name of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone (CID 118739390) is [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone is CCOCC1CN(C(=O)C2CCOCC2)Cc2cnn(C)c21.
What is the InChIKey of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone?
The InChIKey is QUZXSOGRQGBPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-21-11-14-10-19(9-13-8-17-18(2)15(13)14)16(20)12-4-6-22-7-5-12/h8,12,14H,3-7,9-11H2,1-2H3.
What are the key properties of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone?
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone has a molecular weight of 307.39 g/mol, XLogP of 1.31, 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]-(oxan-4-yl)methanone is sourced from PubChem (CID 118739390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).