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

C89H102N24O12S — CID 160595733

IUPAC4-[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
InChIInChI=1S/C30H34N8O4S.C30H34N8O4.C29H34N8O4/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/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)
InChIKeyRDPKMDUQLZRWJH-UHFFFAOYSA-N
MW1732.02 g/mol
LogP10.40
Rot. Bonds25

About 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-[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 160595733) has the molecular formula C89H102N24O12S and a molecular weight of 1732.02 g/mol. Its IUPAC name is 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-[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 CID160595733
Molecular FormulaC89H102N24O12S
Molecular Weight1732.02 g/mol
Exact Mass1730.78
IUPAC Name4-[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
InChIInChI=1S/C30H34N8O4S.C30H34N8O4.C29H34N8O4/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/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)
InChIKeyRDPKMDUQLZRWJH-UHFFFAOYSA-N
XLogP10.40
TPSA453.95 Ų
H-Bond Donors13
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001732.02
LogP ≤ 510.40
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1021

Analyze 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-[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-[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 160595733) is 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-[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-[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.
What is the InChIKey of 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 RDPKMDUQLZRWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O4S.C30H34N8O4.C29H34N8O4/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/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).
What are the key properties of 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-[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 1732.02 g/mol, XLogP of 10.40, 25 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 160595733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).