4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide

C117H135N33O16S — CID 159155251

IUPAC4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc3[nH]ccc3c2)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc3ccccc3n2)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2nc(-c3ccccc3)cs2)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C30H34N8O4S.C30H34N8O4.C29H34N8O4.C28H33N9O4/c1-30(2,3)23-15-24(34-28(42)35-29-33-22(18-43-29)19-9-7-6-8-10-19)38(36-23)21-13-11-20(12-14-21)27(41)37(16-25(39)31-4)17-26(40)32-5;1-30(2,3)23-16-25(35-29(42)34-24-15-12-19-8-6-7-9-22(19)33-24)38(36-23)21-13-10-20(11-14-21)28(41)37(17-26(39)31-4)18-27(40)32-5;1-29(2,3)23-15-24(34-28(41)33-20-8-11-22-19(14-20)12-13-32-22)37(35-23)21-9-6-18(7-10-21)27(40)36(16-25(38)30-4)17-26(39)31-5;1-28(2,3)21-14-22(33-27(41)34-26-31-19-8-6-7-9-20(19)32-26)37(35-21)18-12-10-17(11-13-18)25(40)36(15-23(38)29-4)16-24(39)30-5/h6-15,18H,16-17H2,1-5H3,(H,31,39)(H,32,40)(H2,33,34,35,42);6-16H,17-18H2,1-5H3,(H,31,39)(H,32,40)(H2,33,34,35,42);6-15,32H,16-17H2,1-5H3,(H,30,38)(H,31,39)(H2,33,34,41);6-14H,15-16H2,1-5H3,(H,29,38)(H,30,39)(H3,31,32,33,34,41)
InChIKeyKJUROWKYWBIRRZ-UHFFFAOYSA-N
MW2291.65 g/mol
LogP13.02
Rot. Bonds33

About 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide

4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 159155251) has the molecular formula C117H135N33O16S and a molecular weight of 2291.65 g/mol. Its IUPAC name is 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID159155251
Molecular FormulaC117H135N33O16S
Molecular Weight2291.65 g/mol
Exact Mass2290.05
IUPAC Name4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc3[nH]ccc3c2)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc3ccccc3n2)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2nc(-c3ccccc3)cs2)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C30H34N8O4S.C30H34N8O4.C29H34N8O4.C28H33N9O4/c1-30(2,3)23-15-24(34-28(42)35-29-33-22(18-43-29)19-9-7-6-8-10-19)38(36-23)21-13-11-20(12-14-21)27(41)37(16-25(39)31-4)17-26(40)32-5;1-30(2,3)23-16-25(35-29(42)34-24-15-12-19-8-6-7-9-22(19)33-24)38(36-23)21-13-10-20(11-14-21)28(41)37(17-26(39)31-4)18-27(40)32-5;1-29(2,3)23-15-24(34-28(41)33-20-8-11-22-19(14-20)12-13-32-22)37(35-23)21-9-6-18(7-10-21)27(40)36(16-25(38)30-4)17-26(39)31-5;1-28(2,3)21-14-22(33-27(41)34-26-31-19-8-6-7-9-20(19)32-26)37(35-21)18-12-10-17(11-13-18)25(40)36(15-23(38)29-4)16-24(39)30-5/h6-15,18H,16-17H2,1-5H3,(H,31,39)(H,32,40)(H2,33,34,35,42);6-16H,17-18H2,1-5H3,(H,31,39)(H,32,40)(H2,33,34,35,42);6-15,32H,16-17H2,1-5H3,(H,30,38)(H,31,39)(H2,33,34,41);6-14H,15-16H2,1-5H3,(H,29,38)(H,30,39)(H3,31,32,33,34,41)
InChIKeyKJUROWKYWBIRRZ-UHFFFAOYSA-N
XLogP13.02
TPSA620.09 Ų
H-Bond Donors18
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002291.65
LogP ≤ 513.02
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1028

Analyze 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide (CID 159155251) is 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc3[nH]ccc3c2)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc3ccccc3n2)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2nc(-c3ccccc3)cs2)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is KJUROWKYWBIRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O4S.C30H34N8O4.C29H34N8O4.C28H33N9O4/c1-30(2,3)23-15-24(34-28(42)35-29-33-22(18-43-29)19-9-7-6-8-10-19)38(36-23)21-13-11-20(12-14-21)27(41)37(16-25(39)31-4)17-26(40)32-5;1-30(2,3)23-16-25(35-29(42)34-24-15-12-19-8-6-7-9-22(19)33-24)38(36-23)21-13-10-20(11-14-21)28(41)37(17-26(39)31-4)18-27(40)32-5;1-29(2,3)23-15-24(34-28(41)33-20-8-11-22-19(14-20)12-13-32-22)37(35-23)21-9-6-18(7-10-21)27(40)36(16-25(38)30-4)17-26(39)31-5;1-28(2,3)21-14-22(33-27(41)34-26-31-19-8-6-7-9-20(19)32-26)37(35-21)18-12-10-17(11-13-18)25(40)36(15-23(38)29-4)16-24(39)30-5/h6-15,18H,16-17H2,1-5H3,(H,31,39)(H,32,40)(H2,33,34,35,42);6-16H,17-18H2,1-5H3,(H,31,39)(H,32,40)(H2,33,34,35,42);6-15,32H,16-17H2,1-5H3,(H,30,38)(H,31,39)(H2,33,34,41);6-14H,15-16H2,1-5H3,(H,29,38)(H,30,39)(H3,31,32,33,34,41).
What are the key properties of 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 2291.65 g/mol, XLogP of 13.02, 33 rotatable bonds, 18 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 159155251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).