2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone

C14H21N3O3 — CID 128901980

IUPAC2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone
SMILESCOC1COCCC1CC(=O)N1CCCc2[nH]ncc21
InChIInChI=1S/C14H21N3O3/c1-19-13-9-20-6-4-10(13)7-14(18)17-5-2-3-11-12(17)8-15-16-11/h8,10,13H,2-7,9H2,1H3,(H,15,16)
InChIKeyIYPZWBLZTCUOOZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.13
Rot. Bonds3

About 2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone

2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone (PubChem CID 128901980) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone
PubChem CID128901980
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone
SMILESCOC1COCCC1CC(=O)N1CCCc2[nH]ncc21
InChIInChI=1S/C14H21N3O3/c1-19-13-9-20-6-4-10(13)7-14(18)17-5-2-3-11-12(17)8-15-16-11/h8,10,13H,2-7,9H2,1H3,(H,15,16)
InChIKeyIYPZWBLZTCUOOZ-UHFFFAOYSA-N
XLogP1.13
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone?
The IUPAC name of 2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone (CID 128901980) is 2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone?
The canonical SMILES for 2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone is COC1COCCC1CC(=O)N1CCCc2[nH]ncc21.
What is the InChIKey of 2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone?
The InChIKey is IYPZWBLZTCUOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-13-9-20-6-4-10(13)7-14(18)17-5-2-3-11-12(17)8-15-16-11/h8,10,13H,2-7,9H2,1H3,(H,15,16).
What are the key properties of 2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone?
2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone has a molecular weight of 279.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyoxan-4-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone is sourced from PubChem (CID 128901980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).