1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone

C19H22N4O3 — CID 25269182

IUPAC1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone
SMILESCOc1cccc2c1OCc1c-2n[nH]c1C(=O)N1CCN2CCC1CC2
InChIInChI=1S/C19H22N4O3/c1-25-15-4-2-3-13-16-14(11-26-18(13)15)17(21-20-16)19(24)23-10-9-22-7-5-12(23)6-8-22/h2-4,12H,5-11H2,1H3,(H,20,21)
InChIKeyNPUIETVBQHDVGS-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.90
Rot. Bonds2

About 1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone

1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone (PubChem CID 25269182) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone
PubChem CID25269182
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone
SMILESCOc1cccc2c1OCc1c-2n[nH]c1C(=O)N1CCN2CCC1CC2
InChIInChI=1S/C19H22N4O3/c1-25-15-4-2-3-13-16-14(11-26-18(13)15)17(21-20-16)19(24)23-10-9-22-7-5-12(23)6-8-22/h2-4,12H,5-11H2,1H3,(H,20,21)
InChIKeyNPUIETVBQHDVGS-UHFFFAOYSA-N
XLogP1.90
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone?
The IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone (CID 25269182) is 1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone.
What is the SMILES notation for 1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone?
The canonical SMILES for 1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone is COc1cccc2c1OCc1c-2n[nH]c1C(=O)N1CCN2CCC1CC2.
What is the InChIKey of 1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone?
The InChIKey is NPUIETVBQHDVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-25-15-4-2-3-13-16-14(11-26-18(13)15)17(21-20-16)19(24)23-10-9-22-7-5-12(23)6-8-22/h2-4,12H,5-11H2,1H3,(H,20,21).
What are the key properties of 1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone?
1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone has a molecular weight of 354.41 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[3.2.2]nonan-4-yl-(6-methoxy-2,4-dihydrochromeno[4,3-c]pyrazol-3-yl)methanone is sourced from PubChem (CID 25269182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).