2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one

C22H24ClN5O3 — CID 146272764

IUPAC2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one
SMILESC[C@@H]1CN(c2cnn(Cc3c(-c4ccc(Cl)cn4)noc3C3CC3)c(=O)c2)C[C@H](C)O1
InChIInChI=1S/C22H24ClN5O3/c1-13-10-27(11-14(2)30-13)17-7-20(29)28(25-9-17)12-18-21(19-6-5-16(23)8-24-19)26-31-22(18)15-3-4-15/h5-9,13-15H,3-4,10-12H2,1-2H3/t13-,14+
InChIKeyAUZPUCVKVSZECV-OKILXGFUSA-N
MW441.92 g/mol
LogP3.49
Rot. Bonds5

About 2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one

2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one (PubChem CID 146272764) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is 2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one
PubChem CID146272764
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC Name2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one
SMILESC[C@@H]1CN(c2cnn(Cc3c(-c4ccc(Cl)cn4)noc3C3CC3)c(=O)c2)C[C@H](C)O1
InChIInChI=1S/C22H24ClN5O3/c1-13-10-27(11-14(2)30-13)17-7-20(29)28(25-9-17)12-18-21(19-6-5-16(23)8-24-19)26-31-22(18)15-3-4-15/h5-9,13-15H,3-4,10-12H2,1-2H3/t13-,14+
InChIKeyAUZPUCVKVSZECV-OKILXGFUSA-N
XLogP3.49
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one?
The IUPAC name of 2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one (CID 146272764) is 2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one.
What is the SMILES notation for 2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one?
The canonical SMILES for 2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one is C[C@@H]1CN(c2cnn(Cc3c(-c4ccc(Cl)cn4)noc3C3CC3)c(=O)c2)C[C@H](C)O1.
What is the InChIKey of 2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one?
The InChIKey is AUZPUCVKVSZECV-OKILXGFUSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c1-13-10-27(11-14(2)30-13)17-7-20(29)28(25-9-17)12-18-21(19-6-5-16(23)8-24-19)26-31-22(18)15-3-4-15/h5-9,13-15H,3-4,10-12H2,1-2H3/t13-,14+.
What are the key properties of 2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one?
2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one has a molecular weight of 441.92 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-chloro-2-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one is sourced from PubChem (CID 146272764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).