[(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone

C27H26N4O2 — CID 46891248

IUPAC[(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12
InChIInChI=1S/C27H26N4O2/c1-19-17-30(27(33)22-7-3-2-4-8-22)15-16-31(19)26-24-10-6-5-9-23(24)25(28-29-26)21-13-11-20(18-32)12-14-21/h2-14,19,32H,15-18H2,1H3/t19-/m1/s1
InChIKeyDRVZFOGEZROJQL-LJQANCHMSA-N
MW438.53 g/mol
LogP4.14
Rot. Bonds4

About [(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone

[(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone (PubChem CID 46891248) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is [(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone
PubChem CID46891248
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name[(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12
InChIInChI=1S/C27H26N4O2/c1-19-17-30(27(33)22-7-3-2-4-8-22)15-16-31(19)26-24-10-6-5-9-23(24)25(28-29-26)21-13-11-20(18-32)12-14-21/h2-14,19,32H,15-18H2,1H3/t19-/m1/s1
InChIKeyDRVZFOGEZROJQL-LJQANCHMSA-N
XLogP4.14
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone 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

(R)-(3-methyl-4-(4-(4-(trifluoromethyl)phenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 25255940
(R)-(3-methyl-4-(4-p-tolylphthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891200
4-fluoro-N-[(3R)-1-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 141457654
Phenyl(4-(4-phenylphthalazin-1-yl)piperazin-1-yl)methanone
CID 6407374
4-fluoro-N-[1-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 145961568
(S)-(2-methyl-4-(4-phenylphthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46871826
(R)-(3-methyl-4-(4-phenylphthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46871827
(R)-(2-methyl-4-(4-phenylphthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46890935
(S)-(3-methyl-4-(4-phenylphthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46890990
(S)-(2-methyl-4-(4-p-tolylphthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891164
(S)-(2-methyl-4-(4-(4-(trifluoromethyl)phenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891198
(R)-(4-(4-(4-isopropylphenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
CID 46891246

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone (CID 46891248) is [(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone is C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12.
What is the InChIKey of [(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone?
The InChIKey is DRVZFOGEZROJQL-LJQANCHMSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-19-17-30(27(33)22-7-3-2-4-8-22)15-16-31(19)26-24-10-6-5-9-23(24)25(28-29-26)21-13-11-20(18-32)12-14-21/h2-14,19,32H,15-18H2,1H3/t19-/m1/s1.
What are the key properties of [(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone?
[(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone has a molecular weight of 438.53 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 46891248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).