5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea

C129H162N26O15S4 — CID 158813201

About 5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea

5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea (PubChem CID 158813201) has the molecular formula C129H162N26O15S4 and a molecular weight of 2445.15 g/mol. Its IUPAC name is 5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea.

Molecular Properties

• Compound Name: 5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea
• PubChem CID: 158813201
• Molecular Formula: C129H162N26O15S4
• Molecular Weight: 2445.15 g/mol
• Exact Mass: 2443.16
• IUPAC Name: 5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea
• SMILES: CCNC(=O)c1ccc(-c2cc(NC(=O)Nc3sc(C(C)(C)C)nc3C(=O)N3CCN(C)C(=O)C3(C)C)ccc2C)cn1.COCCOc1ccc(-c2cc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCN(C)C(=O)C3(C)C)ccc2C)cn1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCN(C)C(=O)C2(C)C)cc1-c1ccc(-n2cccn2)nc1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCN(C)C(=O)C2(C)C)cc1-c1ccc(N2CCN(C)CC2)nc1
• InChI: InChI=1S/C34H45N7O3S.C32H37N7O3S.C32H41N5O5S.C31H39N7O4S/c1-22-9-11-24(19-25(22)23-10-12-28(35-21-23)40-16-13-38(7)14-17-40)36-32(44)37-29-26(20-27(45-29)33(2,3)4)30(42)41-18-15-39(8)31(43)34(41,5)6;1-20-9-11-22(17-23(20)21-10-12-26(33-19-21)39-14-8-13-34-39)35-30(42)36-27-24(18-25(43-27)31(2,3)4)28(40)38-16-15-37(7)29(41)32(38,5)6;1-20-9-11-22(17-23(20)21-10-12-26(33-19-21)42-16-15-41-8)34-30(40)35-27-24(18-25(43-27)31(2,3)4)28(38)37-14-13-36(7)29(39)32(37,5)6;1-9-32-24(39)22-13-11-19(17-33-22)21-16-20(12-10-18(21)2)34-29(42)36-25-23(35-27(43-25)30(3,4)5)26(40)38-15-14-37(8)28(41)31(38,6)7/h9-12,19-21H,13-18H2,1-8H3,(H2,36,37,44);8-14,17-19H,15-16H2,1-7H3,(H2,35,36,42);9-12,17-19H,13-16H2,1-8H3,(H2,34,35,40);10-13,16-17H,9,14-15H2,1-8H3,(H,32,39)(H2,34,36,42)
• InChIKey: IUYCWKVMCSBKKP-UHFFFAOYSA-N
• XLogP: 22.12
• TPSA: 463.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2445.15
LogP ≤ 5	22.12
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea?

The IUPAC name of 5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea (CID 158813201) is 5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea.

What is the SMILES notation for 5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea?

The canonical SMILES for 5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea is CCNC(=O)c1ccc(-c2cc(NC(=O)Nc3sc(C(C)(C)C)nc3C(=O)N3CCN(C)C(=O)C3(C)C)ccc2C)cn1.COCCOc1ccc(-c2cc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCN(C)C(=O)C3(C)C)ccc2C)cn1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCN(C)C(=O)C2(C)C)cc1-c1ccc(-n2cccn2)nc1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCN(C)C(=O)C2(C)C)cc1-c1ccc(N2CCN(C)CC2)nc1.

What is the InChIKey of 5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea?

The InChIKey is IUYCWKVMCSBKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N7O3S.C32H37N7O3S.C32H41N5O5S.C31H39N7O4S/c1-22-9-11-24(19-25(22)23-10-12-28(35-21-23)40-16-13-38(7)14-17-40)36-32(44)37-29-26(20-27(45-29)33(2,3)4)30(42)41-18-15-39(8)31(43)34(41,5)6;1-20-9-11-22(17-23(20)21-10-12-26(33-19-21)39-14-8-13-34-39)35-30(42)36-27-24(18-25(43-27)31(2,3)4)28(40)38-16-15-37(7)29(41)32(38,5)6;1-20-9-11-22(17-23(20)21-10-12-26(33-19-21)42-16-15-41-8)34-30(40)35-27-24(18-25(43-27)31(2,3)4)28(38)37-14-13-36(7)29(39)32(37,5)6;1-9-32-24(39)22-13-11-19(17-33-22)21-16-20(12-10-18(21)2)34-29(42)36-25-23(35-27(43-25)30(3,4)5)26(40)38-15-14-37(8)28(41)31(38,6)7/h9-12,19-21H,13-18H2,1-8H3,(H2,36,37,44);8-14,17-19H,15-16H2,1-7H3,(H2,35,36,42);9-12,17-19H,13-16H2,1-8H3,(H2,34,35,40);10-13,16-17H,9,14-15H2,1-8H3,(H,32,39)(H2,34,36,42).

What are the key properties of 5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea?

5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea has a molecular weight of 2445.15 g/mol, XLogP of 22.12, 24 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[[2-tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)phenyl]urea is sourced from PubChem (CID 158813201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).