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(1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

C19H24N4O2 — CID 135098142

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
SMILESCOc1ccccc1-c1ccc(N2C[C@@H]3COC[C@H](C2)N(C)C3)nn1
InChIInChI=1S/C19H24N4O2/c1-22-9-14-10-23(11-15(22)13-25-12-14)19-8-7-17(20-21-19)16-5-3-4-6-18(16)24-2/h3-8,14-15H,9-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyYUXOWPDCBPNCFC-CABCVRRESA-N
MW340.43 g/mol
LogP1.92
Rot. Bonds3

About (1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

(1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane (PubChem CID 135098142) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name(1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
PubChem CID135098142
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
SMILESCOc1ccccc1-c1ccc(N2C[C@@H]3COC[C@H](C2)N(C)C3)nn1
InChIInChI=1S/C19H24N4O2/c1-22-9-14-10-23(11-15(22)13-25-12-14)19-8-7-17(20-21-19)16-5-3-4-6-18(16)24-2/h3-8,14-15H,9-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyYUXOWPDCBPNCFC-CABCVRRESA-N
XLogP1.92
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The IUPAC name of (1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane (CID 135098142) is (1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for (1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for (1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane is COc1ccccc1-c1ccc(N2C[C@@H]3COC[C@H](C2)N(C)C3)nn1.
What is the InChIKey of (1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The InChIKey is YUXOWPDCBPNCFC-CABCVRRESA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-9-14-10-23(11-15(22)13-25-12-14)19-8-7-17(20-21-19)16-5-3-4-6-18(16)24-2/h3-8,14-15H,9-13H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
(1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane has a molecular weight of 340.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-[6-(2-methoxyphenyl)pyridazin-3-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 135098142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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