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

C108H132N24O17 — CID 160712582

IUPAC4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]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)c3ccccc23)cc1.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(OCCc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C38H42N8O5.C37H46N8O6.C33H44N8O6/c1-38(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;1-37(2,3)31-22-32(45(42-31)26-12-10-25(11-13-26)35(48)44(23-33(46)38-4)24-34(47)39-5)41-36(49)40-29-14-15-30(28-9-7-6-8-27(28)29)51-21-18-43-16-19-50-20-17-43;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/h6-17,19-20,22H,18,21,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-15,22H,16-21,23-24H2,1-5H3,(H,38,46)(H,39,47)(H2,40,41,49);6-13,20H,14-19,21-22H2,1-5H3,(H,34,42)(H,35,43)(H2,36,37,45)
InChIKeyRSBADIYSBLMIJQ-UHFFFAOYSA-N
MW2038.39 g/mol
LogP10.99
Rot. Bonds36

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

4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 160712582) has the molecular formula C108H132N24O17 and a molecular weight of 2038.39 g/mol. Its IUPAC name is 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]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)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID160712582
Molecular FormulaC108H132N24O17
Molecular Weight2038.39 g/mol
Exact Mass2037.02
IUPAC Name4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]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)c3ccccc23)cc1.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(OCCc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C38H42N8O5.C37H46N8O6.C33H44N8O6/c1-38(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;1-37(2,3)31-22-32(45(42-31)26-12-10-25(11-13-26)35(48)44(23-33(46)38-4)24-34(47)39-5)41-36(49)40-29-14-15-30(28-9-7-6-8-27(28)29)51-21-18-43-16-19-50-20-17-43;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/h6-17,19-20,22H,18,21,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-15,22H,16-21,23-24H2,1-5H3,(H,38,46)(H,39,47)(H2,40,41,49);6-13,20H,14-19,21-22H2,1-5H3,(H,34,42)(H,35,43)(H2,36,37,45)
InChIKeyRSBADIYSBLMIJQ-UHFFFAOYSA-N
XLogP10.99
TPSA477.90 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002038.39
LogP ≤ 510.99
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

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

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Related Compounds

N-(4-((4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)naphthalen-1-yloxy)methyl)pyridin-2-yl)-2-morpholinoacetamide
CID 45257075
1-[3-Tert-butyl-1-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 73295496
1-[3-Tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl]-3-[4-[2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 73296004
1-[3-Tert-butyl-1-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-5-yl]-3-[4-[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 73297080
4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-N-methylpyridine-2-carboxamide
CID 127030772
N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]benzamide
CID 127030793
4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 127031107
4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 127031108
N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-phenylacetamide
CID 127031117
4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 127031414
1-[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl]-3-[4-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 73296003
3-((4-((4-(3-(3-isopropyl-1-(p-tolyl)-1H-pyrazol-5-yl)ureido)naphthalen-1-yl)oxy)pyrimidin-2-yl)amino)-N-(2-morpholinoethyl)-5-(trifluoromethyl)benzamide
CID 73330873

Frequently Asked Questions

What is the IUPAC name of 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]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)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide (CID 160712582) is 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]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)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]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)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]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)c3ccccc23)cc1.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(OCCc3ccncc3)c3ccccc23)cc1.
What is the InChIKey of 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is RSBADIYSBLMIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N8O5.C37H46N8O6.C33H44N8O6/c1-38(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;1-37(2,3)31-22-32(45(42-31)26-12-10-25(11-13-26)35(48)44(23-33(46)38-4)24-34(47)39-5)41-36(49)40-29-14-15-30(28-9-7-6-8-27(28)29)51-21-18-43-16-19-50-20-17-43;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/h6-17,19-20,22H,18,21,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-15,22H,16-21,23-24H2,1-5H3,(H,38,46)(H,39,47)(H2,40,41,49);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)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 2038.39 g/mol, XLogP of 10.99, 36 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]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-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 160712582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).