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

C19H16N4O2 — CID 74223771

IUPAC3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1
InChIInChI=1S/C19H16N4O2/c1-11-17(12(2)22-23-18(11)24)13-3-5-14(6-4-13)25-19-15-7-9-20-16(15)8-10-21-19/h3-10,20H,1-2H3,(H,23,24)
InChIKeyAXKVXMQBTFXAGJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.72
Rot. Bonds3

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

3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one (PubChem CID 74223771) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
PubChem CID74223771
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1
InChIInChI=1S/C19H16N4O2/c1-11-17(12(2)22-23-18(11)24)13-3-5-14(6-4-13)25-19-15-7-9-20-16(15)8-10-21-19/h3-10,20H,1-2H3,(H,23,24)
InChIKeyAXKVXMQBTFXAGJ-UHFFFAOYSA-N
XLogP3.72
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one (CID 74223771) is 3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1.
What is the InChIKey of 3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The InChIKey is AXKVXMQBTFXAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-17(12(2)22-23-18(11)24)13-3-5-14(6-4-13)25-19-15-7-9-20-16(15)8-10-21-19/h3-10,20H,1-2H3,(H,23,24).
What are the key properties of 3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one has a molecular weight of 332.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 74223771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).