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

C23H25N3O — CID 44539976

IUPAC6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N3O/c1-18-6-5-16-25(18)17-15-19-9-11-20(12-10-19)22-13-14-23(27)26(24-22)21-7-3-2-4-8-21/h2-4,7-14,18H,5-6,15-17H2,1H3/t18-/m1/s1
InChIKeyXIWFPNSSTOCGHV-GOSISDBHSA-N
MW359.47 g/mol
LogP3.93
Rot. Bonds5

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

6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one (PubChem CID 44539976) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one
PubChem CID44539976
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N3O/c1-18-6-5-16-25(18)17-15-19-9-11-20(12-10-19)22-13-14-23(27)26(24-22)21-7-3-2-4-8-21/h2-4,7-14,18H,5-6,15-17H2,1H3/t18-/m1/s1
InChIKeyXIWFPNSSTOCGHV-GOSISDBHSA-N
XLogP3.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one (CID 44539976) is 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one is C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one?
The InChIKey is XIWFPNSSTOCGHV-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18-6-5-16-25(18)17-15-19-9-11-20(12-10-19)22-13-14-23(27)26(24-22)21-7-3-2-4-8-21/h2-4,7-14,18H,5-6,15-17H2,1H3/t18-/m1/s1.
What are the key properties of 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one?
6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one has a molecular weight of 359.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 44539976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).