4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide

C143H168N32O21 — CID 160905778

IUPAC4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]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)Nc2ccc(OCCN3CCOCC3)cc2)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3cccnc3)c3ccccc23)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)c3ccccc23)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)cc2)cc1
InChIInChI=1S/2C38H42N8O5.C34H40N8O5.C33H44N8O6/c1-38(2,3)32-21-33(46(44-32)27-14-12-26(13-15-27)36(49)45(23-34(47)39-4)24-35(48)40-5)43-37(50)42-30-16-17-31(29-11-7-6-10-28(29)30)51-20-18-25-9-8-19-41-22-25;1-38(2,3)32-22-33(46(44-32)27-12-10-26(11-13-27)36(49)45(23-34(47)39-4)24-35(48)40-5)43-37(50)42-30-14-15-31(29-9-7-6-8-28(29)30)51-21-18-25-16-19-41-20-17-25;1-34(2,3)28-20-29(39-33(46)38-25-8-12-27(13-9-25)47-19-16-23-14-17-37-18-15-23)42(40-28)26-10-6-24(7-11-26)32(45)41(21-30(43)35-4)22-31(44)36-5;1-33(2,3)27-20-28(37-32(45)36-24-8-12-26(13-9-24)47-19-16-39-14-17-46-18-15-39)41(38-27)25-10-6-23(7-11-25)31(44)40(21-29(42)34-4)22-30(43)35-5/h6-17,19,21-22H,18,20,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-17,19-20,22H,18,21,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-15,17-18,20H,16,19,21-22H2,1-5H3,(H,35,43)(H,36,44)(H2,38,39,46);6-13,20H,14-19,21-22H2,1-5H3,(H,34,42)(H,35,43)(H2,36,37,45)
InChIKeySQCSORYSDVDALL-UHFFFAOYSA-N
MW2671.12 g/mol
LogP16.06
Rot. Bonds48

About 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide

4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 160905778) has the molecular formula C143H168N32O21 and a molecular weight of 2671.12 g/mol. Its IUPAC name is 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID160905778
Molecular FormulaC143H168N32O21
Molecular Weight2671.12 g/mol
Exact Mass2669.31
IUPAC Name4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]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)Nc2ccc(OCCN3CCOCC3)cc2)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3cccnc3)c3ccccc23)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)c3ccccc23)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)cc2)cc1
InChIInChI=1S/2C38H42N8O5.C34H40N8O5.C33H44N8O6/c1-38(2,3)32-21-33(46(44-32)27-14-12-26(13-15-27)36(49)45(23-34(47)39-4)24-35(48)40-5)43-37(50)42-30-16-17-31(29-11-7-6-10-28(29)30)51-20-18-25-9-8-19-41-22-25;1-38(2,3)32-22-33(46(44-32)27-12-10-26(11-13-27)36(49)45(23-34(47)39-4)24-35(48)40-5)43-37(50)42-30-14-15-31(29-9-7-6-8-28(29)30)51-21-18-25-16-19-41-20-17-25;1-34(2,3)28-20-29(39-33(46)38-25-8-12-27(13-9-25)47-19-16-23-14-17-37-18-15-23)42(40-28)26-10-6-24(7-11-26)32(45)41(21-30(43)35-4)22-31(44)36-5;1-33(2,3)27-20-28(37-32(45)36-24-8-12-26(13-9-24)47-19-16-39-14-17-46-18-15-39)41(38-27)25-10-6-23(7-11-25)31(44)40(21-29(42)34-4)22-30(43)35-5/h6-17,19,21-22H,18,20,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-17,19-20,22H,18,21,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-15,17-18,20H,16,19,21-22H2,1-5H3,(H,35,43)(H,36,44)(H2,38,39,46);6-13,20H,14-19,21-22H2,1-5H3,(H,34,42)(H,35,43)(H2,36,37,45)
InChIKeySQCSORYSDVDALL-UHFFFAOYSA-N
XLogP16.06
TPSA637.90 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds48
Heavy Atoms196
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002671.12
LogP ≤ 516.06
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Analyze 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]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-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide (CID 160905778) is 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]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)Nc2ccc(OCCN3CCOCC3)cc2)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3cccnc3)c3ccccc23)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)c3ccccc23)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is SQCSORYSDVDALL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H42N8O5.C34H40N8O5.C33H44N8O6/c1-38(2,3)32-21-33(46(44-32)27-14-12-26(13-15-27)36(49)45(23-34(47)39-4)24-35(48)40-5)43-37(50)42-30-16-17-31(29-11-7-6-10-28(29)30)51-20-18-25-9-8-19-41-22-25;1-38(2,3)32-22-33(46(44-32)27-12-10-26(11-13-27)36(49)45(23-34(47)39-4)24-35(48)40-5)43-37(50)42-30-14-15-31(29-9-7-6-8-28(29)30)51-21-18-25-16-19-41-20-17-25;1-34(2,3)28-20-29(39-33(46)38-25-8-12-27(13-9-25)47-19-16-23-14-17-37-18-15-23)42(40-28)26-10-6-24(7-11-26)32(45)41(21-30(43)35-4)22-31(44)36-5;1-33(2,3)27-20-28(37-32(45)36-24-8-12-26(13-9-24)47-19-16-39-14-17-46-18-15-39)41(38-27)25-10-6-23(7-11-25)31(44)40(21-29(42)34-4)22-30(43)35-5/h6-17,19,21-22H,18,20,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-17,19-20,22H,18,21,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-15,17-18,20H,16,19,21-22H2,1-5H3,(H,35,43)(H,36,44)(H2,38,39,46);6-13,20H,14-19,21-22H2,1-5H3,(H,34,42)(H,35,43)(H2,36,37,45).
What are the key properties of 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 2671.12 g/mol, XLogP of 16.06, 48 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 160905778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).