5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one

C19H24ClFN4O — CID 138484275

IUPAC5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cc(F)ccc1CN1CCN(c2cn[nH]c(=O)c2Cl)[C@H](C(C)C)C1
InChIInChI=1S/C19H24ClFN4O/c1-12(2)17-11-24(10-14-4-5-15(21)8-13(14)3)6-7-25(17)16-9-22-23-19(26)18(16)20/h4-5,8-9,12,17H,6-7,10-11H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyAHRZNQCRYDZIHO-KRWDZBQOSA-N
MW378.88 g/mol
LogP3.22
Rot. Bonds4

About 5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138484275) has the molecular formula C19H24ClFN4O and a molecular weight of 378.88 g/mol. Its IUPAC name is 5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138484275
Molecular FormulaC19H24ClFN4O
Molecular Weight378.88 g/mol
Exact Mass378.16
IUPAC Name5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cc(F)ccc1CN1CCN(c2cn[nH]c(=O)c2Cl)[C@H](C(C)C)C1
InChIInChI=1S/C19H24ClFN4O/c1-12(2)17-11-24(10-14-4-5-15(21)8-13(14)3)6-7-25(17)16-9-22-23-19(26)18(16)20/h4-5,8-9,12,17H,6-7,10-11H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyAHRZNQCRYDZIHO-KRWDZBQOSA-N
XLogP3.22
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one (CID 138484275) is 5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one is Cc1cc(F)ccc1CN1CCN(c2cn[nH]c(=O)c2Cl)[C@H](C(C)C)C1.
What is the InChIKey of 5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is AHRZNQCRYDZIHO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24ClFN4O/c1-12(2)17-11-24(10-14-4-5-15(21)8-13(14)3)6-7-25(17)16-9-22-23-19(26)18(16)20/h4-5,8-9,12,17H,6-7,10-11H2,1-3H3,(H,23,26)/t17-/m0/s1.
What are the key properties of 5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 378.88 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2R)-4-[(4-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138484275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).