(2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride

C24H29Cl2N5O — CID 139368924

IUPAC(2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride
SMILESCC(C)[C@H](N)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)C[C@H]1C.Cl
InChIInChI=1S/C24H28ClN5O.ClH/c1-15(2)21(26)24(31)30-13-12-29(14-16(30)3)23-20-7-5-4-6-19(20)22(27-28-23)17-8-10-18(25)11-9-17;/h4-11,15-16,21H,12-14,26H2,1-3H3;1H/t16-,21+;/m1./s1
InChIKeyOQWAJSNMNOZGCF-HNIQDJCDSA-N
MW474.44 g/mol
LogP4.39
Rot. Bonds4

About (2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride

(2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride (PubChem CID 139368924) has the molecular formula C24H29Cl2N5O and a molecular weight of 474.44 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride
PubChem CID139368924
Molecular FormulaC24H29Cl2N5O
Molecular Weight474.44 g/mol
Exact Mass473.17
IUPAC Name(2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride
SMILESCC(C)[C@H](N)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)C[C@H]1C.Cl
InChIInChI=1S/C24H28ClN5O.ClH/c1-15(2)21(26)24(31)30-13-12-29(14-16(30)3)23-20-7-5-4-6-19(20)22(27-28-23)17-8-10-18(25)11-9-17;/h4-11,15-16,21H,12-14,26H2,1-3H3;1H/t16-,21+;/m1./s1
InChIKeyOQWAJSNMNOZGCF-HNIQDJCDSA-N
XLogP4.39
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-phenylmethanone
CID 46891165
N-(4-chlorophenyl)-2-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 67343692
(2S)-N-(4-chlorophenyl)-4-[4-(4-cyanophenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide
CID 58379041
(2S,3S)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-3-methylpentan-1-one
CID 134470871
(2S)-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 67344381
3-amino-4-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-4-oxobutanoic acid
CID 134470834
(2S)-N-(4-fluorophenyl)-2-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide;hydrochloride
CID 67344704
2-(2,4-difluorophenyl)-1-[(2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]ethanone
CID 58379056
[(2S)-2-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]-phenylmethanone
CID 25195455
(2S)-4-[4-(4-aminophenyl)phthalazin-1-yl]-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide
CID 89060818
2-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-N-ethyl-4-methylpent-1-en-3-amine
CID 134471397
1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine
CID 91098863

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride (CID 139368924) is (2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride is CC(C)[C@H](N)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)C[C@H]1C.Cl.
What is the InChIKey of (2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride?
The InChIKey is OQWAJSNMNOZGCF-HNIQDJCDSA-N. The full InChI is InChI=1S/C24H28ClN5O.ClH/c1-15(2)21(26)24(31)30-13-12-29(14-16(30)3)23-20-7-5-4-6-19(20)22(27-28-23)17-8-10-18(25)11-9-17;/h4-11,15-16,21H,12-14,26H2,1-3H3;1H/t16-,21+;/m1./s1.
What are the key properties of (2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride?
(2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride has a molecular weight of 474.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2R)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 139368924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).