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

C106H112N32O4S8 — CID 157118473

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

1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(1,3-thiazol-2-yl)piperazin-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-2-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-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (PubChem CID 157118473) has the molecular formula C106H112N32O4S8 and a molecular weight of 2154.82 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(1,3-thiazol-2-yl)piperazin-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-2-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-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(1,3-thiazol-2-yl)piperazin-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-2-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-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
• PubChem CID: 157118473
• Molecular Formula: C106H112N32O4S8
• Molecular Weight: 2154.82 g/mol
• Exact Mass: 2152.73
• IUPAC Name: 1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(1,3-thiazol-2-yl)piperazin-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-2-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-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
• SMILES: CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccccn4)CC3)n2)=NC1.CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4nccs4)CC3)n2)=NC1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccccn4)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4nccs4)CC3)n2)s1
• InChI: InChI=1S/C28H30N8OS.C27H28N8OS2.C26H28N8OS2.C25H26N8OS3/c1-19-16-24(30-18-19)31-26-32-27(36-14-12-35(13-15-36)25-4-2-3-11-29-25)34-28(33-26)38-22-9-5-20(6-10-22)17-23(37)21-7-8-21;1-18-17-29-26(37-18)31-24-30-25(35-14-12-34(13-15-35)23-4-2-3-11-28-23)33-27(32-24)38-21-9-5-19(6-10-21)16-22(36)20-7-8-20;1-17-14-22(28-16-17)29-23-30-24(33-9-11-34(12-10-33)26-27-8-13-36-26)32-25(31-23)37-20-6-2-18(3-7-20)15-21(35)19-4-5-19;1-16-15-27-23(36-16)29-21-28-22(32-9-11-33(12-10-32)25-26-8-13-35-25)31-24(30-21)37-19-6-2-17(3-7-19)14-20(34)18-4-5-18/h2-6,9-11,16,21H,7-8,12-15,17-18H2,1H3,(H,30,31,32,33,34);2-6,9-11,17,20H,7-8,12-16H2,1H3,(H,29,30,31,32,33);2-3,6-8,13-14,19H,4-5,9-12,15-16H2,1H3,(H,28,29,30,31,32);2-3,6-8,13,15,18H,4-5,9-12,14H2,1H3,(H,27,28,29,30,31)
• InChIKey: AHRICYCYXIBYBV-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 399.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 44
• Rotatable Bonds: 34
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2154.82
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

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

The IUPAC name of 1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(1,3-thiazol-2-yl)piperazin-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-2-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-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (CID 157118473) is 1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(1,3-thiazol-2-yl)piperazin-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-2-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-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.

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

The canonical SMILES for 1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(1,3-thiazol-2-yl)piperazin-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-2-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-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccccn4)CC3)n2)=NC1.CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4nccs4)CC3)n2)=NC1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4ccccn4)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4nccs4)CC3)n2)s1.

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

The InChIKey is AHRICYCYXIBYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8OS.C27H28N8OS2.C26H28N8OS2.C25H26N8OS3/c1-19-16-24(30-18-19)31-26-32-27(36-14-12-35(13-15-36)25-4-2-3-11-29-25)34-28(33-26)38-22-9-5-20(6-10-22)17-23(37)21-7-8-21;1-18-17-29-26(37-18)31-24-30-25(35-14-12-34(13-15-35)23-4-2-3-11-28-23)33-27(32-24)38-21-9-5-19(6-10-21)16-22(36)20-7-8-20;1-17-14-22(28-16-17)29-23-30-24(33-9-11-34(12-10-33)26-27-8-13-36-26)32-25(31-23)37-20-6-2-18(3-7-20)15-21(35)19-4-5-19;1-16-15-27-23(36-16)29-21-28-22(32-9-11-33(12-10-32)25-26-8-13-35-25)31-24(30-21)37-19-6-2-17(3-7-19)14-20(34)18-4-5-18/h2-6,9-11,16,21H,7-8,12-15,17-18H2,1H3,(H,30,31,32,33,34);2-6,9-11,17,20H,7-8,12-16H2,1H3,(H,29,30,31,32,33);2-3,6-8,13-14,19H,4-5,9-12,15-16H2,1H3,(H,28,29,30,31,32);2-3,6-8,13,15,18H,4-5,9-12,14H2,1H3,(H,27,28,29,30,31).

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

1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(1,3-thiazol-2-yl)piperazin-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-2-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-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone has a molecular weight of 2154.82 g/mol, XLogP of 17.74, 34 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(1,3-thiazol-2-yl)piperazin-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-2-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-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is sourced from PubChem (CID 157118473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).