1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane

C156H215FN42O18S4 — CID 161032905

About 1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane

1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane (PubChem CID 161032905) has the molecular formula C156H215FN42O18S4 and a molecular weight of 3113.98 g/mol. Its IUPAC name is 1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane.

Molecular Properties

• Compound Name: 1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane
• PubChem CID: 161032905
• Molecular Formula: C156H215FN42O18S4
• Molecular Weight: 3113.98 g/mol
• Exact Mass: 3111.61
• IUPAC Name: 1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane
• SMILES: C.Cc1cnc(NC2CCC(NCC(=O)NCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCC(=O)NCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCCCCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCCCCCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2F)c1CC1CC1
• InChI: InChI=1S/C40H56N10O4S.2C39H53N11O5S.C37H49FN10O4S.CH4/c1-25-21-43-39(48-35(25)31-23-45-49(2)33(31)19-26-9-10-26)46-29-13-11-28(12-14-29)41-17-7-5-3-4-6-8-18-42-40(54)44-22-30-20-27-24-50(38(53)36(27)55-30)32-15-16-34(51)47-37(32)52;2*1-23-18-43-38(48-34(23)29-20-45-49(2)31(29)16-24-6-7-24)46-27-10-8-26(9-11-27)42-21-33(52)40-14-4-3-5-15-41-39(55)44-19-28-17-25-22-50(37(54)35(25)56-28)30-12-13-32(51)47-36(30)53;1-47-30(16-22-6-7-22)27(19-43-47)32-28(38)20-41-36(46-32)44-25-10-8-24(9-11-25)39-14-4-2-3-5-15-40-37(52)42-18-26-17-23-21-48(35(51)33(23)53-26)29-12-13-31(49)45-34(29)50;/h20-21,23,26,28-29,32,41H,3-19,22,24H2,1-2H3,(H2,42,44,54)(H,43,46,48)(H,47,51,52);2*17-18,20,24,26-27,30,42H,3-16,19,21-22H2,1-2H3,(H,40,52)(H2,41,44,55)(H,43,46,48)(H,47,51,53);17,19-20,22,24-25,29,39H,2-16,18,21H2,1H3,(H2,40,42,52)(H,41,44,46)(H,45,49,50);1H4
• InChIKey: TZVZBTSPOLFHPX-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 759.28 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 46
• Rotatable Bonds: 68
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3113.98
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	46

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 1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane?

The IUPAC name of 1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane (CID 161032905) is 1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane.

What is the SMILES notation for 1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane?

The canonical SMILES for 1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane is C.Cc1cnc(NC2CCC(NCC(=O)NCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCC(=O)NCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCCCCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCCCCCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2F)c1CC1CC1.

What is the InChIKey of 1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane?

The InChIKey is TZVZBTSPOLFHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H56N10O4S.2C39H53N11O5S.C37H49FN10O4S.CH4/c1-25-21-43-39(48-35(25)31-23-45-49(2)33(31)19-26-9-10-26)46-29-13-11-28(12-14-29)41-17-7-5-3-4-6-8-18-42-40(54)44-22-30-20-27-24-50(38(53)36(27)55-30)32-15-16-34(51)47-37(32)52;2*1-23-18-43-38(48-34(23)29-20-45-49(2)31(29)16-24-6-7-24)46-27-10-8-26(9-11-27)42-21-33(52)40-14-4-3-5-15-41-39(55)44-19-28-17-25-22-50(37(54)35(25)56-28)30-12-13-32(51)47-36(30)53;1-47-30(16-22-6-7-22)27(19-43-47)32-28(38)20-41-36(46-32)44-25-10-8-24(9-11-25)39-14-4-2-3-5-15-40-37(52)42-18-26-17-23-21-48(35(51)33(23)53-26)29-12-13-31(49)45-34(29)50;/h20-21,23,26,28-29,32,41H,3-19,22,24H2,1-2H3,(H2,42,44,54)(H,43,46,48)(H,47,51,52);2*17-18,20,24,26-27,30,42H,3-16,19,21-22H2,1-2H3,(H,40,52)(H2,41,44,55)(H,43,46,48)(H,47,51,53);17,19-20,22,24-25,29,39H,2-16,18,21H2,1H3,(H2,40,42,52)(H,41,44,46)(H,45,49,50);1H4.

What are the key properties of 1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane?

1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane has a molecular weight of 3113.98 g/mol, XLogP of 16.03, 68 rotatable bonds, 22 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;methane is sourced from PubChem (CID 161032905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).