5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C17H24N4O2 — CID 118739227

IUPAC5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCOCCN1Cc2ccnn2CC(COCc2cccnc2)C1
InChIInChI=1S/C17H24N4O2/c1-22-8-7-20-10-16(11-21-17(12-20)4-6-19-21)14-23-13-15-3-2-5-18-9-15/h2-6,9,16H,7-8,10-14H2,1H3
InChIKeyIBIMRWLGAGJQRI-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.57
Rot. Bonds7

About 5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 118739227) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID118739227
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCOCCN1Cc2ccnn2CC(COCc2cccnc2)C1
InChIInChI=1S/C17H24N4O2/c1-22-8-7-20-10-16(11-21-17(12-20)4-6-19-21)14-23-13-15-3-2-5-18-9-15/h2-6,9,16H,7-8,10-14H2,1H3
InChIKeyIBIMRWLGAGJQRI-UHFFFAOYSA-N
XLogP1.57
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 118739227) is 5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is COCCN1Cc2ccnn2CC(COCc2cccnc2)C1.
What is the InChIKey of 5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is IBIMRWLGAGJQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-22-8-7-20-10-16(11-21-17(12-20)4-6-19-21)14-23-13-15-3-2-5-18-9-15/h2-6,9,16H,7-8,10-14H2,1H3.
What are the key properties of 5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 316.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 118739227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).