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

C20H18N4O2 — CID 74223772

IUPAC3,5-dimethyl-4-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
SMILESCc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)n[nH]c(=O)c1C
InChIInChI=1S/C20H18N4O2/c1-11-10-14(26-20-16-6-8-21-17(16)7-9-22-20)4-5-15(11)18-12(2)19(25)24-23-13(18)3/h4-10,21H,1-3H3,(H,24,25)
InChIKeyMGVBAXYGKWRCMP-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.03
Rot. Bonds3

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

3,5-dimethyl-4-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one (PubChem CID 74223772) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
PubChem CID74223772
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3,5-dimethyl-4-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
SMILESCc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)n[nH]c(=O)c1C
InChIInChI=1S/C20H18N4O2/c1-11-10-14(26-20-16-6-8-21-17(16)7-9-22-20)4-5-15(11)18-12(2)19(25)24-23-13(18)3/h4-10,21H,1-3H3,(H,24,25)
InChIKeyMGVBAXYGKWRCMP-UHFFFAOYSA-N
XLogP4.03
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.03
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-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3,5-dimethyl-4-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one (CID 74223772) is 3,5-dimethyl-4-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3,5-dimethyl-4-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3,5-dimethyl-4-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one is Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)n[nH]c(=O)c1C.
What is the InChIKey of 3,5-dimethyl-4-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
The InChIKey is MGVBAXYGKWRCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-11-10-14(26-20-16-6-8-21-17(16)7-9-22-20)4-5-15(11)18-12(2)19(25)24-23-13(18)3/h4-10,21H,1-3H3,(H,24,25).
What are the key properties of 3,5-dimethyl-4-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one?
3,5-dimethyl-4-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one has a molecular weight of 346.39 g/mol, XLogP of 4.03, 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-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 74223772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).