1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea

C157H200N32O17S3 — CID 161286251

About 1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea

1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea (PubChem CID 161286251) has the molecular formula C157H200N32O17S3 and a molecular weight of 2903.73 g/mol. Its IUPAC name is 1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea.

Molecular Properties

• Compound Name: 1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea
• PubChem CID: 161286251
• Molecular Formula: C157H200N32O17S3
• Molecular Weight: 2903.73 g/mol
• Exact Mass: 2901.49
• IUPAC Name: 1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea
• SMILES: CCc1ccc(-c2cc(NC(=O)Nc3cn(C4(C)CCCC4)nc3C(=O)N3CCNC(=O)C3(C)C)ccc2C)cn1.Cc1ccc(-c2cc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCNC(=O)C3(C)C)ccc2C)nn1.Cc1ccc(NC(=O)Nc2cn(C(C)(C)C)nc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccc(C(C)C)nc1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCN(C)C(=O)C2(C)C)cc1-c1ccc(CN2CCOCC2)cn1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCN(C)C(=O)C2(C)C)cc1-c1ccc(CN2CCOCC2)nc1
• InChI: InChI=1S/2C34H44N6O4S.C31H39N7O3.C30H39N7O3.C28H34N6O3S/c1-22-8-10-24(18-26(22)23-9-11-25(35-20-23)21-39-14-16-44-17-15-39)36-32(43)37-29-27(19-28(45-29)33(2,3)4)30(41)40-13-12-38(7)31(42)34(40,5)6;1-22-8-10-24(18-25(22)27-11-9-23(20-35-27)21-39-14-16-44-17-15-39)36-32(43)37-29-26(19-28(45-29)33(2,3)4)30(41)40-13-12-38(7)31(42)34(40,5)6;1-6-22-12-10-21(18-33-22)24-17-23(11-9-20(24)2)34-29(41)35-25-19-38(31(5)13-7-8-14-31)36-26(25)27(39)37-16-15-32-28(40)30(37,3)4;1-18(2)23-12-10-20(16-32-23)22-15-21(11-9-19(22)3)33-28(40)34-24-17-37(29(4,5)6)35-25(24)26(38)36-14-13-31-27(39)30(36,7)8;1-16-8-10-18(14-19(16)21-11-9-17(2)32-33-21)30-26(37)31-23-20(15-22(38-23)27(3,4)5)24(35)34-13-12-29-25(36)28(34,6)7/h2*8-11,18-20H,12-17,21H2,1-7H3,(H2,36,37,43);9-12,17-19H,6-8,13-16H2,1-5H3,(H,32,40)(H2,34,35,41);9-12,15-18H,13-14H2,1-8H3,(H,31,39)(H2,33,34,40);8-11,14-15H,12-13H2,1-7H3,(H,29,36)(H2,30,31,37)
• InChIKey: VFTLCZKPGHSJJI-UHFFFAOYSA-N
• XLogP: 26.51
• TPSA: 573.04 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2903.73
LogP ≤ 5	26.51
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea?

The IUPAC name of 1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea (CID 161286251) is 1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea.

What is the SMILES notation for 1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea?

The canonical SMILES for 1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea is CCc1ccc(-c2cc(NC(=O)Nc3cn(C4(C)CCCC4)nc3C(=O)N3CCNC(=O)C3(C)C)ccc2C)cn1.Cc1ccc(-c2cc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCNC(=O)C3(C)C)ccc2C)nn1.Cc1ccc(NC(=O)Nc2cn(C(C)(C)C)nc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccc(C(C)C)nc1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCN(C)C(=O)C2(C)C)cc1-c1ccc(CN2CCOCC2)cn1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCN(C)C(=O)C2(C)C)cc1-c1ccc(CN2CCOCC2)nc1.

What is the InChIKey of 1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea?

The InChIKey is VFTLCZKPGHSJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H44N6O4S.C31H39N7O3.C30H39N7O3.C28H34N6O3S/c1-22-8-10-24(18-26(22)23-9-11-25(35-20-23)21-39-14-16-44-17-15-39)36-32(43)37-29-27(19-28(45-29)33(2,3)4)30(41)40-13-12-38(7)31(42)34(40,5)6;1-22-8-10-24(18-25(22)27-11-9-23(20-35-27)21-39-14-16-44-17-15-39)36-32(43)37-29-26(19-28(45-29)33(2,3)4)30(41)40-13-12-38(7)31(42)34(40,5)6;1-6-22-12-10-21(18-33-22)24-17-23(11-9-20(24)2)34-29(41)35-25-19-38(31(5)13-7-8-14-31)36-26(25)27(39)37-16-15-32-28(40)30(37,3)4;1-18(2)23-12-10-20(16-32-23)22-15-21(11-9-19(22)3)33-28(40)34-24-17-37(29(4,5)6)35-25(24)26(38)36-14-13-31-27(39)30(36,7)8;1-16-8-10-18(14-19(16)21-11-9-17(2)32-33-21)30-26(37)31-23-20(15-22(38-23)27(3,4)5)24(35)34-13-12-29-25(36)28(34,6)7/h2*8-11,18-20H,12-17,21H2,1-7H3,(H2,36,37,43);9-12,17-19H,6-8,13-16H2,1-5H3,(H,32,40)(H2,34,35,41);9-12,15-18H,13-14H2,1-8H3,(H,31,39)(H2,33,34,40);8-11,14-15H,12-13H2,1-7H3,(H,29,36)(H2,30,31,37).

What are the key properties of 1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea?

1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea has a molecular weight of 2903.73 g/mol, XLogP of 26.51, 27 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methylpyridazin-3-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1-(1-methylcyclopentyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea is sourced from PubChem (CID 161286251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).