4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one

C20H24ClN3O — CID 2324131

IUPAC4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2c2cnn(-c3ccccc3)c(=O)c2Cl)C1
InChIInChI=1S/C20H24ClN3O/c1-19(2)9-15-10-20(3,12-19)13-23(15)16-11-22-24(18(25)17(16)21)14-7-5-4-6-8-14/h4-8,11,15H,9-10,12-13H2,1-3H3/t15-,20-/m1/s1
InChIKeyNAQUWPJASFZNAW-FOIQADDNSA-N
MW357.88 g/mol
LogP4.29
Rot. Bonds2

About 4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one

4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one (PubChem CID 2324131) has the molecular formula C20H24ClN3O and a molecular weight of 357.88 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one
PubChem CID2324131
Molecular FormulaC20H24ClN3O
Molecular Weight357.88 g/mol
Exact Mass357.16
IUPAC Name4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2c2cnn(-c3ccccc3)c(=O)c2Cl)C1
InChIInChI=1S/C20H24ClN3O/c1-19(2)9-15-10-20(3,12-19)13-23(15)16-11-22-24(18(25)17(16)21)14-7-5-4-6-8-14/h4-8,11,15H,9-10,12-13H2,1-3H3/t15-,20-/m1/s1
InChIKeyNAQUWPJASFZNAW-FOIQADDNSA-N
XLogP4.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one with MolForge

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Related Compounds

4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
CID 133306124
4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354
5-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 71883492
4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 119270199
1,5-dimethyl-2-phenyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazol-3-one
CID 2846108
4-chloro-5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 133313381
(3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione
CID 100579055
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 9206668
4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 46529673
4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one
CID 36726677

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one (CID 2324131) is 4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one is CC1(C)C[C@@H]2C[C@@](C)(CN2c2cnn(-c3ccccc3)c(=O)c2Cl)C1.
What is the InChIKey of 4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one?
The InChIKey is NAQUWPJASFZNAW-FOIQADDNSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-19(2)9-15-10-20(3,12-19)13-23(15)16-11-22-24(18(25)17(16)21)14-7-5-4-6-8-14/h4-8,11,15H,9-10,12-13H2,1-3H3/t15-,20-/m1/s1.
What are the key properties of 4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one?
4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one has a molecular weight of 357.88 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one is sourced from PubChem (CID 2324131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).