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

C19H17N5O2 — CID 74223724

IUPAC3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
SMILESCc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)n[nH]c(=O)c1C
InChIInChI=1S/C19H17N5O2/c1-10-8-13(26-19-15-9-21-23-16(15)6-7-20-19)4-5-14(10)17-11(2)18(25)24-22-12(17)3/h4-9H,1-3H3,(H,21,23)(H,24,25)
InChIKeyPIUUIDSDLRNXHH-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.43
Rot. Bonds3

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

3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one (PubChem CID 74223724) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
PubChem CID74223724
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
SMILESCc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)n[nH]c(=O)c1C
InChIInChI=1S/C19H17N5O2/c1-10-8-13(26-19-15-9-21-23-16(15)6-7-20-19)4-5-14(10)17-11(2)18(25)24-22-12(17)3/h4-9H,1-3H3,(H,21,23)(H,24,25)
InChIKeyPIUUIDSDLRNXHH-UHFFFAOYSA-N
XLogP3.43
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.43
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-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one (CID 74223724) is 3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one is Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)n[nH]c(=O)c1C.
What is the InChIKey of 3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The InChIKey is PIUUIDSDLRNXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-10-8-13(26-19-15-9-21-23-16(15)6-7-20-19)4-5-14(10)17-11(2)18(25)24-22-12(17)3/h4-9H,1-3H3,(H,21,23)(H,24,25).
What are the key properties of 3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one has a molecular weight of 347.38 g/mol, XLogP of 3.43, 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-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 74223724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).