2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide

C17H17N5O3 — CID 168980097

IUPAC2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cn2nc(C)c3oc(C4CC4)cc3c2=O)nc1
InChIInChI=1S/C17H17N5O3/c1-9-6-18-17(19-7-9)20-14(23)8-22-16(24)12-5-13(11-3-4-11)25-15(12)10(2)21-22/h5-7,11H,3-4,8H2,1-2H3,(H,18,19,20,23)
InChIKeyDBKWZVLYHOPHDK-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.91
Rot. Bonds4

About 2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide

2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide (PubChem CID 168980097) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide
PubChem CID168980097
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cn2nc(C)c3oc(C4CC4)cc3c2=O)nc1
InChIInChI=1S/C17H17N5O3/c1-9-6-18-17(19-7-9)20-14(23)8-22-16(24)12-5-13(11-3-4-11)25-15(12)10(2)21-22/h5-7,11H,3-4,8H2,1-2H3,(H,18,19,20,23)
InChIKeyDBKWZVLYHOPHDK-UHFFFAOYSA-N
XLogP1.91
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide (CID 168980097) is 2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide is Cc1cnc(NC(=O)Cn2nc(C)c3oc(C4CC4)cc3c2=O)nc1.
What is the InChIKey of 2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide?
The InChIKey is DBKWZVLYHOPHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-9-6-18-17(19-7-9)20-14(23)8-22-16(24)12-5-13(11-3-4-11)25-15(12)10(2)21-22/h5-7,11H,3-4,8H2,1-2H3,(H,18,19,20,23).
What are the key properties of 2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide?
2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide has a molecular weight of 339.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 168980097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).