6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one

C25H30N4O2 — CID 24996643

IUPAC6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
SMILESCc1cccnc1-n1nc(C)c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O
InChIInChI=1S/C25H30N4O2/c1-18-7-4-13-26-25(18)29-24(30)17-23(20(3)27-29)21-9-11-22(12-10-21)31-16-6-15-28-14-5-8-19(28)2/h4,7,9-13,17,19H,5-6,8,14-16H2,1-3H3/t19-/m1/s1
InChIKeyDACDBRYFJUJEAA-LJQANCHMSA-N
MW418.54 g/mol
LogP4.16
Rot. Bonds7

About 6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one

6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one (PubChem CID 24996643) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
PubChem CID24996643
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
SMILESCc1cccnc1-n1nc(C)c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O
InChIInChI=1S/C25H30N4O2/c1-18-7-4-13-26-25(18)29-24(30)17-23(20(3)27-29)21-9-11-22(12-10-21)31-16-6-15-28-14-5-8-19(28)2/h4,7,9-13,17,19H,5-6,8,14-16H2,1-3H3/t19-/m1/s1
InChIKeyDACDBRYFJUJEAA-LJQANCHMSA-N
XLogP4.16
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Didehydro rosiglitazone, (5Z)-
CID 10119132
5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one
CID 24996322
5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one
CID 155577599
N-[4-[4-[(2S)-2-amino-4-methylpentoxy]phenyl]-2-pyridinyl]acetamide
CID 168286154
N-benzyl-2-(4-methylphenoxy)-N-pyridin-2-ylacetamide
CID 698463
(E)-3-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 24241463
6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyrimidin-2-ylpyridazin-3-one
CID 24992519
6-[6-(1-Cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one
CID 24993175
6-[4-(1-Cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one
CID 24993502
6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one
CID 24994432
5-[4-(3-Piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one
CID 24996323
5-[4-[3-(Azepan-1-yl)propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one
CID 24996324

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one (CID 24996643) is 6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one is Cc1cccnc1-n1nc(C)c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O.
What is the InChIKey of 6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The InChIKey is DACDBRYFJUJEAA-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-7-4-13-26-25(18)29-24(30)17-23(20(3)27-29)21-9-11-22(12-10-21)31-16-6-15-28-14-5-8-19(28)2/h4,7,9-13,17,19H,5-6,8,14-16H2,1-3H3/t19-/m1/s1.
What are the key properties of 6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one has a molecular weight of 418.54 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one is sourced from PubChem (CID 24996643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).