1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one

C128H159N35O5S5 — CID 159269961

About 1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one

1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one (PubChem CID 159269961) has the molecular formula C128H159N35O5S5 and a molecular weight of 2428.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one
• PubChem CID: 159269961
• Molecular Formula: C128H159N35O5S5
• Molecular Weight: 2428.25 g/mol
• Exact Mass: 2426.19
• IUPAC Name: 1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one
• SMILES: CCC(=O)Cc1ccc(Sc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(CC)CC3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCNCC3)n2)cc1.CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.CCN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.CCc1cc(Nc2cc(N3CCN(CC)CC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1
• InChI: InChI=1S/C27H33N7OS.2C26H33N7OS.C25H31N7OS.C24H29N7OS/c1-2-33-11-13-34(14-12-33)26-17-24(28-25-16-22(31-32-25)19-5-6-19)29-27(30-26)36-21-9-3-18(4-10-21)15-23(35)20-7-8-20;1-3-20-16-24(31-30-20)27-23-17-25(33-13-11-32(4-2)12-14-33)29-26(28-23)35-21-9-5-18(6-10-21)15-22(34)19-7-8-19;1-3-20(34)15-18-5-9-21(10-6-18)35-26-28-23(27-24-16-22(30-31-24)19-7-8-19)17-25(29-26)33-13-11-32(4-2)12-14-33;1-3-31-10-12-32(13-11-31)24-16-22(26-23-14-17(2)29-30-23)27-25(28-24)34-20-8-4-18(5-9-20)15-21(33)19-6-7-19;1-2-18(32)13-16-3-7-19(8-4-16)33-24-27-21(15-23(28-24)31-11-9-25-10-12-31)26-22-14-20(29-30-22)17-5-6-17/h3-4,9-10,16-17,19-20H,2,5-8,11-15H2,1H3,(H2,28,29,30,31,32);2*5-6,9-10,16-17,19H,3-4,7-8,11-15H2,1-2H3,(H2,27,28,29,30,31);4-5,8-9,14,16,19H,3,6-7,10-13,15H2,1-2H3,(H2,26,27,28,29,30);3-4,7-8,14-15,17,25H,2,5-6,9-13H2,1H3,(H2,26,27,28,29,30)
• InChIKey: KXOTYVVZEWRIGZ-UHFFFAOYSA-N
• XLogP: 21.56
• TPSA: 458.99 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 48
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2428.25
LogP ≤ 5	21.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one?

The IUPAC name of 1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one (CID 159269961) is 1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one.

What is the SMILES notation for 1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one?

The canonical SMILES for 1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one is CCC(=O)Cc1ccc(Sc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(CC)CC3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCNCC3)n2)cc1.CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.CCN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.CCc1cc(Nc2cc(N3CCN(CC)CC3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.

What is the InChIKey of 1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one?

The InChIKey is KXOTYVVZEWRIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7OS.2C26H33N7OS.C25H31N7OS.C24H29N7OS/c1-2-33-11-13-34(14-12-33)26-17-24(28-25-16-22(31-32-25)19-5-6-19)29-27(30-26)36-21-9-3-18(4-10-21)15-23(35)20-7-8-20;1-3-20-16-24(31-30-20)27-23-17-25(33-13-11-32(4-2)12-14-33)29-26(28-23)35-21-9-5-18(6-10-21)15-22(34)19-7-8-19;1-3-20(34)15-18-5-9-21(10-6-18)35-26-28-23(27-24-16-22(30-31-24)19-7-8-19)17-25(29-26)33-13-11-32(4-2)12-14-33;1-3-31-10-12-32(13-11-31)24-16-22(26-23-14-17(2)29-30-23)27-25(28-24)34-20-8-4-18(5-9-20)15-21(33)19-6-7-19;1-2-18(32)13-16-3-7-19(8-4-16)33-24-27-21(15-23(28-24)31-11-9-25-10-12-31)26-22-14-20(29-30-22)17-5-6-17/h3-4,9-10,16-17,19-20H,2,5-8,11-15H2,1H3,(H2,28,29,30,31,32);2*5-6,9-10,16-17,19H,3-4,7-8,11-15H2,1-2H3,(H2,27,28,29,30,31);4-5,8-9,14,16,19H,3,6-7,10-13,15H2,1-2H3,(H2,26,27,28,29,30);3-4,7-8,14-15,17,25H,2,5-6,9-13H2,1H3,(H2,26,27,28,29,30).

What are the key properties of 1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one?

1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one has a molecular weight of 2428.25 g/mol, XLogP of 21.56, 48 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]butan-2-one;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]butan-2-one is sourced from PubChem (CID 159269961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).