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

C18H15N5O2 — CID 74223832

IUPAC3,5-dimethyl-4-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3[nH]ncc23)cc1
InChIInChI=1S/C18H15N5O2/c1-10-16(11(2)21-23-17(10)24)12-3-5-13(6-4-12)25-18-14-9-20-22-15(14)7-8-19-18/h3-9H,1-2H3,(H,20,22)(H,23,24)
InChIKeyMNQHYPAYGGYPKE-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.12
Rot. Bonds3

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

3,5-dimethyl-4-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one (PubChem CID 74223832) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
PubChem CID74223832
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name3,5-dimethyl-4-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3[nH]ncc23)cc1
InChIInChI=1S/C18H15N5O2/c1-10-16(11(2)21-23-17(10)24)12-3-5-13(6-4-12)25-18-14-9-20-22-15(14)7-8-19-18/h3-9H,1-2H3,(H,20,22)(H,23,24)
InChIKeyMNQHYPAYGGYPKE-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 3,5-dimethyl-4-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3,5-dimethyl-4-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one (CID 74223832) is 3,5-dimethyl-4-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3,5-dimethyl-4-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3,5-dimethyl-4-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3[nH]ncc23)cc1.
What is the InChIKey of 3,5-dimethyl-4-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The InChIKey is MNQHYPAYGGYPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-10-16(11(2)21-23-17(10)24)12-3-5-13(6-4-12)25-18-14-9-20-22-15(14)7-8-19-18/h3-9H,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 3,5-dimethyl-4-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
3,5-dimethyl-4-[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 3,5-dimethyl-4-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 74223832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).