1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea

C124H156N24O16S3 — CID 159787385

About 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea

1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea (PubChem CID 159787385) has the molecular formula C124H156N24O16S3 and a molecular weight of 2334.96 g/mol. Its IUPAC name is 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea
• PubChem CID: 159787385
• Molecular Formula: C124H156N24O16S3
• Molecular Weight: 2334.96 g/mol
• Exact Mass: 2333.13
• IUPAC Name: 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea
• SMILES: Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)oc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccncc1.Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccc(N2CCOCC2)nc1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccc(OCCCN(C)C)nc1.Cc1ncc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccc(N2CCOCC2)nc1
• InChI: InChI=1S/C33H44N6O4S.C32H40N6O4S.C31H39N7O4S.C28H33N5O4/c1-21-10-12-23(18-24(21)22-11-13-27(35-20-22)43-17-9-15-38(7)8)36-31(42)37-28-25(19-26(44-28)32(2,3)4)29(40)39-16-14-34-30(41)33(39,5)6;1-20-7-9-22(17-23(20)21-8-10-26(34-19-21)37-13-15-42-16-14-37)35-30(41)36-24-18-25(31(2,3)4)43-27(24)28(39)38-12-11-33-29(40)32(38,5)6;1-19-22(20-7-8-25(34-17-20)37-11-13-42-14-12-37)15-21(18-33-19)35-29(41)36-26-23(16-24(43-26)30(2,3)4)27(39)38-10-9-32-28(40)31(38,5)6;1-17-7-8-19(15-20(17)18-9-11-29-12-10-18)31-26(36)32-21-16-22(27(2,3)4)37-23(21)24(34)33-14-13-30-25(35)28(33,5)6/h10-13,18-20H,9,14-17H2,1-8H3,(H,34,41)(H2,36,37,42);7-10,17-19H,11-16H2,1-6H3,(H,33,40)(H2,35,36,41);7-8,15-18H,9-14H2,1-6H3,(H,32,40)(H2,35,36,41);7-12,15-16H,13-14H2,1-6H3,(H,30,35)(H2,31,32,36)
• InChIKey: NICURHCHPBSIPY-UHFFFAOYSA-N
• XLogP: 20.57
• TPSA: 477.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2334.96
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea?

The IUPAC name of 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea (CID 159787385) is 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea.

What is the SMILES notation for 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea?

The canonical SMILES for 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea is Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)oc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccncc1.Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccc(N2CCOCC2)nc1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccc(OCCCN(C)C)nc1.Cc1ncc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccc(N2CCOCC2)nc1.

What is the InChIKey of 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea?

The InChIKey is NICURHCHPBSIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N6O4S.C32H40N6O4S.C31H39N7O4S.C28H33N5O4/c1-21-10-12-23(18-24(21)22-11-13-27(35-20-22)43-17-9-15-38(7)8)36-31(42)37-28-25(19-26(44-28)32(2,3)4)29(40)39-16-14-34-30(41)33(39,5)6;1-20-7-9-22(17-23(20)21-8-10-26(34-19-21)37-13-15-42-16-14-37)35-30(41)36-24-18-25(31(2,3)4)43-27(24)28(39)38-12-11-33-29(40)32(38,5)6;1-19-22(20-7-8-25(34-17-20)37-11-13-42-14-12-37)15-21(18-33-19)35-29(41)36-26-23(16-24(43-26)30(2,3)4)27(39)38-10-9-32-28(40)31(38,5)6;1-17-7-8-19(15-20(17)18-9-11-29-12-10-18)31-26(36)32-21-16-22(27(2,3)4)37-23(21)24(34)33-14-13-30-25(35)28(33,5)6/h10-13,18-20H,9,14-17H2,1-8H3,(H,34,41)(H2,36,37,42);7-10,17-19H,11-16H2,1-6H3,(H,33,40)(H2,35,36,41);7-8,15-18H,9-14H2,1-6H3,(H,32,40)(H2,35,36,41);7-12,15-16H,13-14H2,1-6H3,(H,30,35)(H2,31,32,36).

What are the key properties of 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea?

1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea has a molecular weight of 2334.96 g/mol, XLogP of 20.57, 23 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)furan-3-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[6-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]urea is sourced from PubChem (CID 159787385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).