N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine

C50H50F6N12O — CID 144749832

IUPACN-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
SMILESCN(Cc1ccc(F)cc1OC(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3cccc(F)c3F)CC2)c2ccccc12
InChIInChI=1S/C26H26F4N6O.C24H24F2N6/c1-34(16-17-7-8-18(27)15-23(17)37-26(28,29)30)19-10-13-36(14-11-19)25-21-6-4-3-5-20(21)24(32-33-25)22-9-12-31-35(22)2;1-31-21(9-12-28-31)23-18-6-2-3-7-19(18)24(30-29-23)32-13-10-17(11-14-32)27-15-16-5-4-8-20(25)22(16)26/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3;2-9,12,17,27H,10-11,13-15H2,1H3
InChIKeyQPJBXSVLXSKYEG-UHFFFAOYSA-N
MW949.02 g/mol
LogP9.24
Rot. Bonds11

About N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine

N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine (PubChem CID 144749832) has the molecular formula C50H50F6N12O and a molecular weight of 949.02 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
PubChem CID144749832
Molecular FormulaC50H50F6N12O
Molecular Weight949.02 g/mol
Exact Mass948.41
IUPAC NameN-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
SMILESCN(Cc1ccc(F)cc1OC(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3cccc(F)c3F)CC2)c2ccccc12
InChIInChI=1S/C26H26F4N6O.C24H24F2N6/c1-34(16-17-7-8-18(27)15-23(17)37-26(28,29)30)19-10-13-36(14-11-19)25-21-6-4-3-5-20(21)24(32-33-25)22-9-12-31-35(22)2;1-31-21(9-12-28-31)23-18-6-2-3-7-19(18)24(30-29-23)32-13-10-17(11-14-32)27-15-16-5-4-8-20(25)22(16)26/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3;2-9,12,17,27H,10-11,13-15H2,1H3
InChIKeyQPJBXSVLXSKYEG-UHFFFAOYSA-N
XLogP9.24
TPSA118.18 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.02
LogP ≤ 59.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine 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-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 86342589
1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 86342590
N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 86342774
1-[1-[4-(2-Methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 86343099
1-[4-(Difluoromethoxy)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea
CID 86343287
1-[1-[4-(2-Methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 86343288
1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 86345187
1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 117727269
N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 117727279
N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 117727321
1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 117727352
[4-(Difluoromethoxy)anilino]-[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methanol
CID 123992453

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine (CID 144749832) is N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine is CN(Cc1ccc(F)cc1OC(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3cccc(F)c3F)CC2)c2ccccc12.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine?
The InChIKey is QPJBXSVLXSKYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N6O.C24H24F2N6/c1-34(16-17-7-8-18(27)15-23(17)37-26(28,29)30)19-10-13-36(14-11-19)25-21-6-4-3-5-20(21)24(32-33-25)22-9-12-31-35(22)2;1-31-21(9-12-28-31)23-18-6-2-3-7-19(18)24(30-29-23)32-13-10-17(11-14-32)27-15-16-5-4-8-20(25)22(16)26/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3;2-9,12,17,27H,10-11,13-15H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine?
N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine has a molecular weight of 949.02 g/mol, XLogP of 9.24, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine is sourced from PubChem (CID 144749832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).