5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one

C21H19N5O3 — CID 146272736

IUPAC5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
SMILESCOc1cccc(-c2cnn(Cc3c(-c4ccc(C)nc4)noc3C)c(=O)c2)n1
InChIInChI=1S/C21H19N5O3/c1-13-7-8-15(10-22-13)21-17(14(2)29-25-21)12-26-20(27)9-16(11-23-26)18-5-4-6-19(24-18)28-3/h4-11H,12H2,1-3H3
InChIKeyMCALIWGDRXPWCR-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.03
Rot. Bonds5

About 5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one

5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one (PubChem CID 146272736) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
PubChem CID146272736
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
SMILESCOc1cccc(-c2cnn(Cc3c(-c4ccc(C)nc4)noc3C)c(=O)c2)n1
InChIInChI=1S/C21H19N5O3/c1-13-7-8-15(10-22-13)21-17(14(2)29-25-21)12-26-20(27)9-16(11-23-26)18-5-4-6-19(24-18)28-3/h4-11H,12H2,1-3H3
InChIKeyMCALIWGDRXPWCR-UHFFFAOYSA-N
XLogP3.03
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one (CID 146272736) is 5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one is COc1cccc(-c2cnn(Cc3c(-c4ccc(C)nc4)noc3C)c(=O)c2)n1.
What is the InChIKey of 5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The InChIKey is MCALIWGDRXPWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13-7-8-15(10-22-13)21-17(14(2)29-25-21)12-26-20(27)9-16(11-23-26)18-5-4-6-19(24-18)28-3/h4-11H,12H2,1-3H3.
What are the key properties of 5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one has a molecular weight of 389.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 146272736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).