3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one

C18H15N5O2 — CID 91899758

IUPAC3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
SMILESCc1cc(Oc2nccc3[nH]ncc23)ccc1-c1cc(=O)[nH]nc1C
InChIInChI=1S/C18H15N5O2/c1-10-7-12(25-18-15-9-20-22-16(15)5-6-19-18)3-4-13(10)14-8-17(24)23-21-11(14)2/h3-9H,1-2H3,(H,20,22)(H,23,24)
InChIKeyIZPVREUFRMXCAY-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.12
Rot. Bonds3

About 3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one

3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one (PubChem CID 91899758) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
PubChem CID91899758
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
SMILESCc1cc(Oc2nccc3[nH]ncc23)ccc1-c1cc(=O)[nH]nc1C
InChIInChI=1S/C18H15N5O2/c1-10-7-12(25-18-15-9-20-22-16(15)5-6-19-18)3-4-13(10)14-8-17(24)23-21-11(14)2/h3-9H,1-2H3,(H,20,22)(H,23,24)
InChIKeyIZPVREUFRMXCAY-UHFFFAOYSA-N
XLogP3.12
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one (CID 91899758) is 3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one is Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1cc(=O)[nH]nc1C.
What is the InChIKey of 3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The InChIKey is IZPVREUFRMXCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-10-7-12(25-18-15-9-20-22-16(15)5-6-19-18)3-4-13(10)14-8-17(24)23-21-11(14)2/h3-9H,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one has a molecular weight of 333.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 91899758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).