N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide

C115H149Cl6N41O12S6 — CID 158100768

About N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide

N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide (PubChem CID 158100768) has the molecular formula C115H149Cl6N41O12S6 and a molecular weight of 2702.85 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide
• PubChem CID: 158100768
• Molecular Formula: C115H149Cl6N41O12S6
• Molecular Weight: 2702.85 g/mol
• Exact Mass: 2697.88
• IUPAC Name: N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide
• SMILES: CCCN(Cc1ccccc1)S(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2cnc(Cl)cc12.CCNS(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2cnc(Cl)cc12.CN1CCN(c2nc(NCCS(=O)(=O)N(C)c3ccccc3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCCS(=O)(=O)c3ccccc3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCCS(N)(=O)=O)c3cc(Cl)ncc3n2)CC1
• InChI: InChI=1S/C24H32ClN7O2S.C21H26ClN7O2S.C20H24ClN7O2S.C20H23ClN6O2S.C16H24ClN7O2S.C14H20ClN7O2S/c1-3-10-32(18-19-7-5-4-6-8-19)35(33,34)15-9-26-23-20-16-22(25)27-17-21(20)28-24(29-23)31-13-11-30(2)12-14-31;1-27-9-11-29(12-10-27)21-25-18-15-24-19(22)14-17(18)20(26-21)23-8-13-32(30,31)28(2)16-6-4-3-5-7-16;1-27-8-10-28(11-9-27)20-24-17-14-23-18(21)13-16(17)19(25-20)22-7-12-31(29,30)26-15-5-3-2-4-6-15;1-26-8-10-27(11-9-26)20-24-17-14-23-18(21)13-16(17)19(25-20)22-7-12-30(28,29)15-5-3-2-4-6-15;1-3-20-27(25,26)9-4-18-15-12-10-14(17)19-11-13(12)21-16(22-15)24-7-5-23(2)6-8-24;1-21-3-5-22(6-4-21)14-19-11-9-18-12(15)8-10(11)13(20-14)17-2-7-25(16,23)24/h4-8,16-17H,3,9-15,18H2,1-2H3,(H,26,28,29);3-7,14-15H,8-13H2,1-2H3,(H,23,25,26);2-6,13-14,26H,7-12H2,1H3,(H,22,24,25);2-6,13-14H,7-12H2,1H3,(H,22,24,25);10-11,20H,3-9H2,1-2H3,(H,18,21,22);8-9H,2-7H2,1H3,(H2,16,23,24)(H,17,19,20)
• InChIKey: FPFMWKCAQJQNAE-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 604.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 42
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2702.85
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide?

The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide (CID 158100768) is N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide.

What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide?

The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide is CCCN(Cc1ccccc1)S(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2cnc(Cl)cc12.CCNS(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2cnc(Cl)cc12.CN1CCN(c2nc(NCCS(=O)(=O)N(C)c3ccccc3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCCS(=O)(=O)c3ccccc3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCCS(N)(=O)=O)c3cc(Cl)ncc3n2)CC1.

What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide?

The InChIKey is FPFMWKCAQJQNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN7O2S.C21H26ClN7O2S.C20H24ClN7O2S.C20H23ClN6O2S.C16H24ClN7O2S.C14H20ClN7O2S/c1-3-10-32(18-19-7-5-4-6-8-19)35(33,34)15-9-26-23-20-16-22(25)27-17-21(20)28-24(29-23)31-13-11-30(2)12-14-31;1-27-9-11-29(12-10-27)21-25-18-15-24-19(22)14-17(18)20(26-21)23-8-13-32(30,31)28(2)16-6-4-3-5-7-16;1-27-8-10-28(11-9-27)20-24-17-14-23-18(21)13-16(17)19(25-20)22-7-12-31(29,30)26-15-5-3-2-4-6-15;1-26-8-10-27(11-9-26)20-24-17-14-23-18(21)13-16(17)19(25-20)22-7-12-30(28,29)15-5-3-2-4-6-15;1-3-20-27(25,26)9-4-18-15-12-10-14(17)19-11-13(12)21-16(22-15)24-7-5-23(2)6-8-24;1-21-3-5-22(6-4-21)14-19-11-9-18-12(15)8-10(11)13(20-14)17-2-7-25(16,23)24/h4-8,16-17H,3,9-15,18H2,1-2H3,(H,26,28,29);3-7,14-15H,8-13H2,1-2H3,(H,23,25,26);2-6,13-14,26H,7-12H2,1H3,(H,22,24,25);2-6,13-14H,7-12H2,1H3,(H,22,24,25);10-11,20H,3-9H2,1-2H3,(H,18,21,22);8-9H,2-7H2,1H3,(H2,16,23,24)(H,17,19,20).

What are the key properties of N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide?

N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide has a molecular weight of 2702.85 g/mol, XLogP of 10.90, 42 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;N-benzyl-2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-propylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-ethylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-methyl-N-phenylethanesulfonamide;2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-phenylethanesulfonamide is sourced from PubChem (CID 158100768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).