6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one

C21H23N5O3 — CID 123641308

IUPAC6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one
SMILESCOc1ccc(C2CC2COc2cc(NCc3ccccn3)c(=O)n(C)n2)nc1
InChIInChI=1S/C21H23N5O3/c1-26-21(27)19(23-11-15-5-3-4-8-22-15)10-20(25-26)29-13-14-9-17(14)18-7-6-16(28-2)12-24-18/h3-8,10,12,14,17,23H,9,11,13H2,1-2H3
InChIKeyZBNJEZHKAPPRLQ-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.37
Rot. Bonds8

About 6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one

6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one (PubChem CID 123641308) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one
PubChem CID123641308
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one
SMILESCOc1ccc(C2CC2COc2cc(NCc3ccccn3)c(=O)n(C)n2)nc1
InChIInChI=1S/C21H23N5O3/c1-26-21(27)19(23-11-15-5-3-4-8-22-15)10-20(25-26)29-13-14-9-17(14)18-7-6-16(28-2)12-24-18/h3-8,10,12,14,17,23H,9,11,13H2,1-2H3
InChIKeyZBNJEZHKAPPRLQ-UHFFFAOYSA-N
XLogP2.37
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one?
The IUPAC name of 6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one (CID 123641308) is 6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one is COc1ccc(C2CC2COc2cc(NCc3ccccn3)c(=O)n(C)n2)nc1.
What is the InChIKey of 6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one?
The InChIKey is ZBNJEZHKAPPRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-26-21(27)19(23-11-15-5-3-4-8-22-15)10-20(25-26)29-13-14-9-17(14)18-7-6-16(28-2)12-24-18/h3-8,10,12,14,17,23H,9,11,13H2,1-2H3.
What are the key properties of 6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one?
6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one has a molecular weight of 393.45 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-2-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 123641308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).