[(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one

C73H83Cl4F3N14O4 — CID 159292415

IUPAC[(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one
SMILESCCN(C(C)C)C(C)C.CN1CCCC1=O.C[C@H]1CN(c2nnc(Cl)c3cc(F)ccc23)CCN1C(=O)c1ccccc1.C[C@H]1CN(c2nnc(Cl)c3ccc(F)cc23)CCN1C(=O)c1ccccc1.C[C@H]1CNCCN1C(=O)c1ccccc1.Fc1ccc2c(Cl)nnc(Cl)c2c1
InChIInChI=1S/2C20H18ClFN4O.C12H16N2O.C8H3Cl2FN2.C8H19N.C5H9NO/c1-13-12-25(9-10-26(13)20(27)14-5-3-2-4-6-14)19-16-8-7-15(22)11-17(16)18(21)23-24-19;1-13-12-25(9-10-26(13)20(27)14-5-3-2-4-6-14)19-17-11-15(22)7-8-16(17)18(21)23-24-19;1-10-9-13-7-8-14(10)12(15)11-5-3-2-4-6-11;9-7-5-2-1-4(11)3-6(5)8(10)13-12-7;1-6-9(7(2)3)8(4)5;1-6-4-2-3-5(6)7/h2*2-8,11,13H,9-10,12H2,1H3;2-6,10,13H,7-9H2,1H3;1-3H;7-8H,6H2,1-5H3;2-4H2,1H3/t2*13-;10-;;;/m000.../s1
InChIKeyLAHGFKAOKATBTO-TVZRZDSMSA-N
MW1419.37 g/mol
LogP14.11
Rot. Bonds8

About [(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one

[(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one (PubChem CID 159292415) has the molecular formula C73H83Cl4F3N14O4 and a molecular weight of 1419.37 g/mol. Its IUPAC name is [(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name[(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one
PubChem CID159292415
Molecular FormulaC73H83Cl4F3N14O4
Molecular Weight1419.37 g/mol
Exact Mass1416.54
IUPAC Name[(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one
SMILESCCN(C(C)C)C(C)C.CN1CCCC1=O.C[C@H]1CN(c2nnc(Cl)c3cc(F)ccc23)CCN1C(=O)c1ccccc1.C[C@H]1CN(c2nnc(Cl)c3ccc(F)cc23)CCN1C(=O)c1ccccc1.C[C@H]1CNCCN1C(=O)c1ccccc1.Fc1ccc2c(Cl)nnc(Cl)c2c1
InChIInChI=1S/2C20H18ClFN4O.C12H16N2O.C8H3Cl2FN2.C8H19N.C5H9NO/c1-13-12-25(9-10-26(13)20(27)14-5-3-2-4-6-14)19-16-8-7-15(22)11-17(16)18(21)23-24-19;1-13-12-25(9-10-26(13)20(27)14-5-3-2-4-6-14)19-17-11-15(22)7-8-16(17)18(21)23-24-19;1-10-9-13-7-8-14(10)12(15)11-5-3-2-4-6-11;9-7-5-2-1-4(11)3-6(5)8(10)13-12-7;1-6-9(7(2)3)8(4)5;1-6-4-2-3-5(6)7/h2*2-8,11,13H,9-10,12H2,1H3;2-6,10,13H,7-9H2,1H3;1-3H;7-8H,6H2,1-5H3;2-4H2,1H3/t2*13-;10-;;;/m000.../s1
InChIKeyLAHGFKAOKATBTO-TVZRZDSMSA-N
XLogP14.11
TPSA180.33 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001419.37
LogP ≤ 514.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze [(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one 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-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone
CID 57581530
[(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone
CID 57581548
[(3R)-4-(4-chloro-7-fluorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone
CID 57581551
[(3R)-4-(4-chloro-6-fluorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone
CID 57581560
[4-(4-Chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone
CID 76610691
[4-(4-Chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone
CID 76610693
[4-(4-Chloro-7-fluorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone
CID 76610694
[4-(4-Chloro-6-fluorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone
CID 76610696
N-[1-(4-chlorophthalazin-1-yl)piperidin-3-yl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 141457660
benzoyl chloride;tert-butyl (3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;dichloromethane;1,4-dichlorophthalazine;N,N-diethylethanamine;methane;[(3R)-3-methyl-4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;1-[(2R)-2-methylpiperazin-1-yl]-4-phenylphthalazine;phenylboronic acid;2,2,2-trifluoroacetaldehyde
CID 157488787
N-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 178022138
benzoyl chloride;N-ethyl-N-propan-2-ylpropan-2-amine;methyl 1-benzoyl-4-(4-chlorophthalazin-1-yl)piperazine-2-carboxylate;methyl 4-(4-chlorophthalazin-1-yl)piperazine-2-carboxylate
CID 157085599

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one?
The IUPAC name of [(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one (CID 159292415) is [(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one.
What is the SMILES notation for [(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one?
The canonical SMILES for [(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one is CCN(C(C)C)C(C)C.CN1CCCC1=O.C[C@H]1CN(c2nnc(Cl)c3cc(F)ccc23)CCN1C(=O)c1ccccc1.C[C@H]1CN(c2nnc(Cl)c3ccc(F)cc23)CCN1C(=O)c1ccccc1.C[C@H]1CNCCN1C(=O)c1ccccc1.Fc1ccc2c(Cl)nnc(Cl)c2c1.
What is the InChIKey of [(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one?
The InChIKey is LAHGFKAOKATBTO-TVZRZDSMSA-N. The full InChI is InChI=1S/2C20H18ClFN4O.C12H16N2O.C8H3Cl2FN2.C8H19N.C5H9NO/c1-13-12-25(9-10-26(13)20(27)14-5-3-2-4-6-14)19-16-8-7-15(22)11-17(16)18(21)23-24-19;1-13-12-25(9-10-26(13)20(27)14-5-3-2-4-6-14)19-17-11-15(22)7-8-16(17)18(21)23-24-19;1-10-9-13-7-8-14(10)12(15)11-5-3-2-4-6-11;9-7-5-2-1-4(11)3-6(5)8(10)13-12-7;1-6-9(7(2)3)8(4)5;1-6-4-2-3-5(6)7/h2*2-8,11,13H,9-10,12H2,1H3;2-6,10,13H,7-9H2,1H3;1-3H;7-8H,6H2,1-5H3;2-4H2,1H3/t2*13-;10-;;;/m000.../s1.
What are the key properties of [(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one?
[(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one has a molecular weight of 1419.37 g/mol, XLogP of 14.11, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(4-chloro-6-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;[(2S)-4-(4-chloro-7-fluorophthalazin-1-yl)-2-methylpiperazin-1-yl]-phenylmethanone;1,4-dichloro-6-fluorophthalazine;N-ethyl-N-propan-2-ylpropan-2-amine;[(2S)-2-methylpiperazin-1-yl]-phenylmethanone;1-methylpyrrolidin-2-one is sourced from PubChem (CID 159292415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).