6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C16H19N7O — CID 71926467

IUPAC6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCCCn1nc2c(cc1=O)CN(c1ncnc3c1cnn3C)CC2
InChIInChI=1S/C16H19N7O/c1-3-5-23-14(24)7-11-9-22(6-4-13(11)20-23)16-12-8-19-21(2)15(12)17-10-18-16/h7-8,10H,3-6,9H2,1-2H3
InChIKeyGSDIBSUQPIMWLC-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.89
Rot. Bonds3

About 6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 71926467) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID71926467
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCCCn1nc2c(cc1=O)CN(c1ncnc3c1cnn3C)CC2
InChIInChI=1S/C16H19N7O/c1-3-5-23-14(24)7-11-9-22(6-4-13(11)20-23)16-12-8-19-21(2)15(12)17-10-18-16/h7-8,10H,3-6,9H2,1-2H3
InChIKeyGSDIBSUQPIMWLC-UHFFFAOYSA-N
XLogP0.89
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 71926467) is 6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is CCCn1nc2c(cc1=O)CN(c1ncnc3c1cnn3C)CC2.
What is the InChIKey of 6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is GSDIBSUQPIMWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-3-5-23-14(24)7-11-9-22(6-4-13(11)20-23)16-12-8-19-21(2)15(12)17-10-18-16/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 325.38 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 71926467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).