2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane

C156H209ClN44O22S4 — CID 158875047

About 2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane

2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane (PubChem CID 158875047) has the molecular formula C156H209ClN44O22S4 and a molecular weight of 3216.39 g/mol. Its IUPAC name is 2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane.

Molecular Properties

• Compound Name: 2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane
• PubChem CID: 158875047
• Molecular Formula: C156H209ClN44O22S4
• Molecular Weight: 3216.39 g/mol
• Exact Mass: 3213.52
• IUPAC Name: 2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane
• SMILES: C.Cc1cnc(NC2CCC(NCC(=O)NCCCCNCC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCC(=O)NCCCCNCC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCC(=O)NCCCCNCC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)nc1-c1cnn(C)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)NCCCCNCC(=O)NCc4scc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)ncc2Cl)c1CC1CC1
• InChI: InChI=1S/2C39H51N11O6S.C39H53N11O5S.C38H50ClN11O5S.CH4/c2*1-22-17-44-39(48-34(22)28-19-45-49(2)30(28)15-23-5-6-23)46-25-9-7-24(8-10-25)42-21-33(53)41-14-4-3-13-40-20-32(52)43-18-26-16-27-35(57-26)38(56)50(37(27)55)29-11-12-31(51)47-36(29)54;1-23-17-44-39(48-35(23)29-19-45-49(2)31(29)15-24-5-6-24)46-27-9-7-26(8-10-27)42-21-34(53)41-14-4-3-13-40-20-33(52)43-18-28-16-25-22-50(38(55)36(25)56-28)30-11-12-32(51)47-37(30)54;1-49-30(14-22-4-5-22)25(15-45-49)35-28(39)16-44-38(48-35)46-24-8-6-23(7-9-24)42-19-34(53)41-13-3-2-12-40-18-33(52)43-17-31-26-20-50(37(55)27(26)21-56-31)29-10-11-32(51)47-36(29)54;/h2*16-17,19,23-25,29,40,42H,3-15,18,20-21H2,1-2H3,(H,41,53)(H,43,52)(H,44,46,48)(H,47,51,54);16-17,19,24,26-27,30,40,42H,3-15,18,20-22H2,1-2H3,(H,41,53)(H,43,52)(H,44,46,48)(H,47,51,54);15-16,21-24,29,40,42H,2-14,17-20H2,1H3,(H,41,53)(H,43,52)(H,44,46,48)(H,47,51,54);1H4
• InChIKey: JCIFURDDYIVLHI-UHFFFAOYSA-N
• XLogP: 8.56
• TPSA: 851.62 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 54
• Rotatable Bonds: 72
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3216.39
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane?

The IUPAC name of 2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane (CID 158875047) is 2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane.

What is the SMILES notation for 2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane?

The canonical SMILES for 2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane is C.Cc1cnc(NC2CCC(NCC(=O)NCCCCNCC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCC(=O)NCCCCNCC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCC(=O)NCCCCNCC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)nc1-c1cnn(C)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)NCCCCNCC(=O)NCc4scc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)ncc2Cl)c1CC1CC1.

What is the InChIKey of 2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane?

The InChIKey is JCIFURDDYIVLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H51N11O6S.C39H53N11O5S.C38H50ClN11O5S.CH4/c2*1-22-17-44-39(48-34(22)28-19-45-49(2)30(28)15-23-5-6-23)46-25-9-7-24(8-10-25)42-21-33(53)41-14-4-3-13-40-20-32(52)43-18-26-16-27-35(57-26)38(56)50(37(27)55)29-11-12-31(51)47-36(29)54;1-23-17-44-39(48-35(23)29-19-45-49(2)31(29)15-24-5-6-24)46-27-9-7-26(8-10-27)42-21-34(53)41-14-4-3-13-40-20-33(52)43-18-28-16-25-22-50(38(55)36(25)56-28)30-11-12-32(51)47-37(30)54;1-49-30(14-22-4-5-22)25(15-45-49)35-28(39)16-44-38(48-35)46-24-8-6-23(7-9-24)42-19-34(53)41-13-3-2-12-40-18-33(52)43-17-31-26-20-50(37(55)27(26)21-56-31)29-10-11-32(51)47-36(29)54;/h2*16-17,19,23-25,29,40,42H,3-15,18,20-21H2,1-2H3,(H,41,53)(H,43,52)(H,44,46,48)(H,47,51,54);16-17,19,24,26-27,30,40,42H,3-15,18,20-22H2,1-2H3,(H,41,53)(H,43,52)(H,44,46,48)(H,47,51,54);15-16,21-24,29,40,42H,2-14,17-20H2,1H3,(H,41,53)(H,43,52)(H,44,46,48)(H,47,51,54);1H4.

What are the key properties of 2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane?

2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane has a molecular weight of 3216.39 g/mol, XLogP of 8.56, 72 rotatable bonds, 24 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide;bis(2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[2,3-c]pyrrol-2-yl]methyl]acetamide);2-[4-[[2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;methane is sourced from PubChem (CID 158875047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).