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

C20H27N3O2 — CID 53363717

IUPAC2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
SMILESCCn1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)ccc1=O
InChIInChI=1S/C20H27N3O2/c1-3-23-20(24)12-11-19(21-23)17-7-9-18(10-8-17)25-15-5-14-22-13-4-6-16(22)2/h7-12,16H,3-6,13-15H2,1-2H3/t16-/m1/s1
InChIKeyYYQHFNTWPUXHOE-MRXNPFEDSA-N
MW341.46 g/mol
LogP3.18
Rot. Bonds7

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

2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one (PubChem CID 53363717) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
PubChem CID53363717
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
SMILESCCn1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)ccc1=O
InChIInChI=1S/C20H27N3O2/c1-3-23-20(24)12-11-19(21-23)17-7-9-18(10-8-17)25-15-5-14-22-13-4-6-16(22)2/h7-12,16H,3-6,13-15H2,1-2H3/t16-/m1/s1
InChIKeyYYQHFNTWPUXHOE-MRXNPFEDSA-N
XLogP3.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Irdabisant
CID 25070031
Irdabisant Hydrochloride
CID 53363810
2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 23725172
6-{4-[3-((R)-2-Methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-4,5-dihydro-2H-pyridazin-3-one
CID 24994127
4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 53363442
3-methyl-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 54753626
3-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 54753627
2-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5,6,7,8-tetrahydrophthalazin-1-one
CID 56658547
2-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]phthalazin-1-one
CID 56668789
5,5-dimethyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1,4-dihydropyridazin-6-one
CID 56835090
4-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 57397654
2-methyl-8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydrobenzo[h]cinnolin-3-one
CID 59651957

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The IUPAC name of 2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one (CID 53363717) is 2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one is CCn1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)ccc1=O.
What is the InChIKey of 2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The InChIKey is YYQHFNTWPUXHOE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-23-20(24)12-11-19(21-23)17-7-9-18(10-8-17)25-15-5-14-22-13-4-6-16(22)2/h7-12,16H,3-6,13-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one has a molecular weight of 341.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one is sourced from PubChem (CID 53363717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).