N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide

C26H23F2N5O — CID 42691065

IUPACN-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc12
InChIInChI=1S/C26H23F2N5O/c27-19-9-11-20(12-10-19)32-13-15-33(16-14-32)25-22-7-3-2-6-21(22)24(30-31-25)26(34)29-17-18-5-1-4-8-23(18)28/h1-12H,13-17H2,(H,29,34)
InChIKeyVCCXBQLYJSGFGU-UHFFFAOYSA-N
MW459.50 g/mol
LogP4.16
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide

N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide (PubChem CID 42691065) has the molecular formula C26H23F2N5O and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
PubChem CID42691065
Molecular FormulaC26H23F2N5O
Molecular Weight459.50 g/mol
Exact Mass459.19
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc12
InChIInChI=1S/C26H23F2N5O/c27-19-9-11-20(12-10-19)32-13-15-33(16-14-32)25-22-7-3-2-6-21(22)24(30-31-25)26(34)29-17-18-5-1-4-8-23(18)28/h1-12H,13-17H2,(H,29,34)
InChIKeyVCCXBQLYJSGFGU-UHFFFAOYSA-N
XLogP4.16
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-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-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42691033
N-[(3-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690905
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46157742
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 42878379
4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide
CID 42691004
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone
CID 42691066
N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690891
N-benzyl-4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690841
N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109020701
N-[(2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109233382
3-[(2-fluorophenyl)methylamino]-4-[4-(4-fluorophenyl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
CID 53368046

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide (CID 42691065) is N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide is O=C(NCc1ccccc1F)c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide?
The InChIKey is VCCXBQLYJSGFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O/c27-19-9-11-20(12-10-19)32-13-15-33(16-14-32)25-22-7-3-2-6-21(22)24(30-31-25)26(34)29-17-18-5-1-4-8-23(18)28/h1-12H,13-17H2,(H,29,34).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide is sourced from PubChem (CID 42691065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).