1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone

C124H139N35O7S7 — CID 157308002

About 1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone

1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (PubChem CID 157308002) has the molecular formula C124H139N35O7S7 and a molecular weight of 2456.18 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
• PubChem CID: 157308002
• Molecular Formula: C124H139N35O7S7
• Molecular Weight: 2456.18 g/mol
• Exact Mass: 2453.96
• IUPAC Name: 1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
• SMILES: CC1=CC(Nc2nc(C)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)=NC1.CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(CCO)CC3)n2)=NC1.CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccncc4)CC3)n2)=NC1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccncc4)CC3)n2)s1
• InChI: InChI=1S/C28H30N8OS.C27H28N8OS2.C25H31N7O2S.C24H29N7O2S2.C20H21N5OS/c1-19-16-25(30-18-19)31-26-32-27(36-14-12-35(13-15-36)22-8-10-29-11-9-22)34-28(33-26)38-23-6-2-20(3-7-23)17-24(37)21-4-5-21;1-18-17-29-26(37-18)31-24-30-25(35-14-12-34(13-15-35)21-8-10-28-11-9-21)33-27(32-24)38-22-6-2-19(3-7-22)16-23(36)20-4-5-20;1-17-14-22(26-16-17)27-23-28-24(32-10-8-31(9-11-32)12-13-33)30-25(29-23)35-20-6-2-18(3-7-20)15-21(34)19-4-5-19;1-16-15-25-23(34-16)27-21-26-22(31-10-8-30(9-11-31)12-13-32)29-24(28-21)35-19-6-2-17(3-7-19)14-20(33)18-4-5-18;1-12-9-18(21-11-12)24-19-22-13(2)23-20(25-19)27-16-7-3-14(4-8-16)10-17(26)15-5-6-15/h2-3,6-11,16,21H,4-5,12-15,17-18H2,1H3,(H,30,31,32,33,34);2-3,6-11,17,20H,4-5,12-16H2,1H3,(H,29,30,31,32,33);2-3,6-7,14,19,33H,4-5,8-13,15-16H2,1H3,(H,26,27,28,29,30);2-3,6-7,15,18,32H,4-5,8-14H2,1H3,(H,25,26,27,28,29);3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,21,22,23,24,25)
• InChIKey: BCSHALCWZKVOBA-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 493.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 49
• Rotatable Bonds: 42
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2456.18
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

The IUPAC name of 1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (CID 157308002) is 1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.

What is the SMILES notation for 1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

The canonical SMILES for 1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is CC1=CC(Nc2nc(C)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)=NC1.CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(CCO)CC3)n2)=NC1.CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccncc4)CC3)n2)=NC1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccncc4)CC3)n2)s1.

What is the InChIKey of 1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

The InChIKey is BCSHALCWZKVOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8OS.C27H28N8OS2.C25H31N7O2S.C24H29N7O2S2.C20H21N5OS/c1-19-16-25(30-18-19)31-26-32-27(36-14-12-35(13-15-36)22-8-10-29-11-9-22)34-28(33-26)38-23-6-2-20(3-7-23)17-24(37)21-4-5-21;1-18-17-29-26(37-18)31-24-30-25(35-14-12-34(13-15-35)21-8-10-28-11-9-21)33-27(32-24)38-22-6-2-19(3-7-22)16-23(36)20-4-5-20;1-17-14-22(26-16-17)27-23-28-24(32-10-8-31(9-11-32)12-13-33)30-25(29-23)35-20-6-2-18(3-7-20)15-21(34)19-4-5-19;1-16-15-25-23(34-16)27-21-26-22(31-10-8-30(9-11-31)12-13-32)29-24(28-21)35-19-6-2-17(3-7-19)14-20(33)18-4-5-18;1-12-9-18(21-11-12)24-19-22-13(2)23-20(25-19)27-16-7-3-14(4-8-16)10-17(26)15-5-6-15/h2-3,6-11,16,21H,4-5,12-15,17-18H2,1H3,(H,30,31,32,33,34);2-3,6-11,17,20H,4-5,12-16H2,1H3,(H,29,30,31,32,33);2-3,6-7,14,19,33H,4-5,8-13,15-16H2,1H3,(H,26,27,28,29,30);2-3,6-7,15,18,32H,4-5,8-14H2,1H3,(H,25,26,27,28,29);3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,21,22,23,24,25).

What are the key properties of 1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone has a molecular weight of 2456.18 g/mol, XLogP of 18.03, 42 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-methyl-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is sourced from PubChem (CID 157308002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).