(2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

C27H23F4N5O2 — CID 67342516

IUPAC(2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CCN1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C27H23F4N5O2/c1-17-16-35(14-15-36(17)26(37)32-20-10-12-21(13-11-20)38-27(29,30)31)25-23-5-3-2-4-22(23)24(33-34-25)18-6-8-19(28)9-7-18/h2-13,17H,14-16H2,1H3,(H,32,37)/t17-/m1/s1
InChIKeyPNAVVESJIZZWLF-QGZVFWFLSA-N
MW525.51 g/mol
LogP6.08
Rot. Bonds4

About (2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

(2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 67342516) has the molecular formula C27H23F4N5O2 and a molecular weight of 525.51 g/mol. Its IUPAC name is (2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
PubChem CID67342516
Molecular FormulaC27H23F4N5O2
Molecular Weight525.51 g/mol
Exact Mass525.18
IUPAC Name(2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CCN1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C27H23F4N5O2/c1-17-16-35(14-15-36(17)26(37)32-20-10-12-21(13-11-20)38-27(29,30)31)25-23-5-3-2-4-22(23)24(33-34-25)18-6-8-19(28)9-7-18/h2-13,17H,14-16H2,1H3,(H,32,37)/t17-/m1/s1
InChIKeyPNAVVESJIZZWLF-QGZVFWFLSA-N
XLogP6.08
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.51
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide 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

N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine
CID 71540053
1-[4-[[4-[(4-Methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]-3-phenylurea
CID 127033206
1-[4-[[4-[(4-Methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 127033207
1-(4-Methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea
CID 127033497
(4-(4-((4-(Chlorodifluoromethoxy)phenyl)amino)phthalazin-1-yl)phenyl)(morpholino)methanone
CID 3472544
N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine
CID 2869439
US11702418, Example 9-1
CID 156527548
1-(4-Fluorophenyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]phthalazine
CID 6405450
3-(3-Fluoro-4-methoxyphenyl)-1-{3-[6-(morpholin-4-YL)pyridazin-3-YL]phenyl}urea
CID 53154140
N-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine
CID 127033204
N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
CID 127036821
N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
CID 127036822

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of (2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (CID 67342516) is (2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for (2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is C[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CCN1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is PNAVVESJIZZWLF-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H23F4N5O2/c1-17-16-35(14-15-36(17)26(37)32-20-10-12-21(13-11-20)38-27(29,30)31)25-23-5-3-2-4-22(23)24(33-34-25)18-6-8-19(28)9-7-18/h2-13,17H,14-16H2,1H3,(H,32,37)/t17-/m1/s1.
What are the key properties of (2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
(2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 525.51 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 67342516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).