N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea

C123H132ClF3N34O5S — CID 160686748

About N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea

N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea (PubChem CID 160686748) has the molecular formula C123H132ClF3N34O5S and a molecular weight of 2291.16 g/mol. Its IUPAC name is N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea.

Molecular Properties

• Compound Name: N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea
• PubChem CID: 160686748
• Molecular Formula: C123H132ClF3N34O5S
• Molecular Weight: 2291.16 g/mol
• Exact Mass: 2289.05
• IUPAC Name: N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea
• SMILES: COc1ccc(NC(=O)NC2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)cc1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccncc23)CC1.Cc1cc(F)ccc1S(=O)(=O)N(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1nc(Cl)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccccc3F)CC2)c2ccccc12
• InChI: InChI=1S/C25H28FN7.C25H27FN6O2S.C25H27N7O2.C24H26ClN7.C24H24FN7O/c1-17-14-19(26)5-4-18(17)16-31(2)20-8-12-33(13-9-20)25-22-15-27-10-6-21(22)24(29-30-25)23-7-11-28-32(23)3;1-17-16-18(26)8-9-23(17)35(33,34)31(3)19-11-14-32(15-12-19)25-21-7-5-4-6-20(21)24(28-29-25)22-10-13-27-30(22)2;1-31-22(11-14-26-31)23-20-5-3-4-6-21(20)24(30-29-23)32-15-12-18(13-16-32)28-25(33)27-17-7-9-19(34-2)10-8-17;1-16-17(7-8-22(25)28-16)15-26-18-10-13-32(14-11-18)24-20-6-4-3-5-19(20)23(29-30-24)21-9-12-27-31(21)2;1-31-21(10-13-26-31)22-17-6-2-3-7-18(17)23(30-29-22)32-14-11-16(12-15-32)27-24(33)28-20-9-5-4-8-19(20)25/h4-7,10-11,14-15,20H,8-9,12-13,16H2,1-3H3;4-10,13,16,19H,11-12,14-15H2,1-3H3;3-11,14,18H,12-13,15-16H2,1-2H3,(H2,27,28,33);3-9,12,18,26H,10-11,13-15H2,1-2H3;2-10,13,16H,11-12,14-15H2,1H3,(H2,27,28,33)
• InChIKey: ROWCCTISXDPNQT-UHFFFAOYSA-N
• XLogP: 19.68
• TPSA: 404.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2291.16
LogP ≤ 5	19.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea?

The IUPAC name of N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea (CID 160686748) is N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea.

What is the SMILES notation for N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea?

The canonical SMILES for N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea is COc1ccc(NC(=O)NC2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)cc1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccncc23)CC1.Cc1cc(F)ccc1S(=O)(=O)N(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1nc(Cl)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccccc3F)CC2)c2ccccc12.

What is the InChIKey of N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea?

The InChIKey is ROWCCTISXDPNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7.C25H27FN6O2S.C25H27N7O2.C24H26ClN7.C24H24FN7O/c1-17-14-19(26)5-4-18(17)16-31(2)20-8-12-33(13-9-20)25-22-15-27-10-6-21(22)24(29-30-25)23-7-11-28-32(23)3;1-17-16-18(26)8-9-23(17)35(33,34)31(3)19-11-14-32(15-12-19)25-21-7-5-4-6-20(21)24(28-29-25)22-10-13-27-30(22)2;1-31-22(11-14-26-31)23-20-5-3-4-6-21(20)24(30-29-23)32-15-12-18(13-16-32)28-25(33)27-17-7-9-19(34-2)10-8-17;1-16-17(7-8-22(25)28-16)15-26-18-10-13-32(14-11-18)24-20-6-4-3-5-19(20)23(29-30-24)21-9-12-27-31(21)2;1-31-21(10-13-26-31)22-17-6-2-3-7-18(17)23(30-29-22)32-14-11-16(12-15-32)27-24(33)28-20-9-5-4-8-19(20)25/h4-7,10-11,14-15,20H,8-9,12-13,16H2,1-3H3;4-10,13,16,19H,11-12,14-15H2,1-3H3;3-11,14,18H,12-13,15-16H2,1-2H3,(H2,27,28,33);3-9,12,18,26H,10-11,13-15H2,1-2H3;2-10,13,16H,11-12,14-15H2,1H3,(H2,27,28,33).

What are the key properties of N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea?

N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea has a molecular weight of 2291.16 g/mol, XLogP of 19.68, 24 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea is sourced from PubChem (CID 160686748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).