5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one

C16H13N7O2 — CID 10065515

IUPAC5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1ccc(-n2nc3c(Nc4ncccn4)n[nH]c3cc2=O)cc1
InChIInChI=1S/C16H13N7O2/c1-25-11-5-3-10(4-6-11)23-13(24)9-12-14(22-23)15(21-20-12)19-16-17-7-2-8-18-16/h2-9,20H,1H3,(H,17,18,19,21)
InChIKeySSEXHPVKWUREDI-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.65
Rot. Bonds4

About 5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one

5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 10065515) has the molecular formula C16H13N7O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID10065515
Molecular FormulaC16H13N7O2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1ccc(-n2nc3c(Nc4ncccn4)n[nH]c3cc2=O)cc1
InChIInChI=1S/C16H13N7O2/c1-25-11-5-3-10(4-6-11)23-13(24)9-12-14(22-23)15(21-20-12)19-16-17-7-2-8-18-16/h2-9,20H,1H3,(H,17,18,19,21)
InChIKeySSEXHPVKWUREDI-UHFFFAOYSA-N
XLogP1.65
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 10065515) is 5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one is COc1ccc(-n2nc3c(Nc4ncccn4)n[nH]c3cc2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is SSEXHPVKWUREDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2/c1-25-11-5-3-10(4-6-11)23-13(24)9-12-14(22-23)15(21-20-12)19-16-17-7-2-8-18-16/h2-9,20H,1H3,(H,17,18,19,21).
What are the key properties of 5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one?
5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 335.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 10065515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).