N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine

C74H83ClN14O8 — CID 158258269

IUPACN-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine
SMILESC1COCCN1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)CCl)c3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)CN4CCOCC4)c3)c3ccccc23)cc1
InChIInChI=1S/C37H41N7O4.C33H33ClN6O3.C4H9NO/c1-25-9-11-27(12-10-25)44-34(22-32(42-44)37(2,3)4)41-36(46)39-30-13-14-31(29-8-6-5-7-28(29)30)48-24-26-15-16-38-33(21-26)40-35(45)23-43-17-19-47-20-18-43;1-21-9-11-23(12-10-21)40-30(18-28(39-40)33(2,3)4)38-32(42)36-26-13-14-27(25-8-6-5-7-24(25)26)43-20-22-15-16-35-29(17-22)37-31(41)19-34;1-3-6-4-2-5-1/h5-16,21-22H,17-20,23-24H2,1-4H3,(H,38,40,45)(H2,39,41,46);5-18H,19-20H2,1-4H3,(H,35,37,41)(H2,36,38,42);5H,1-4H2
InChIKeyGHNYZJXUJCDMMR-UHFFFAOYSA-N
MW1332.02 g/mol
LogP13.55
Rot. Bonds17

About N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine

N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine (PubChem CID 158258269) has the molecular formula C74H83ClN14O8 and a molecular weight of 1332.02 g/mol. Its IUPAC name is N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine.

Molecular Properties

Compound NameN-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine
PubChem CID158258269
Molecular FormulaC74H83ClN14O8
Molecular Weight1332.02 g/mol
Exact Mass1330.62
IUPAC NameN-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine
SMILESC1COCCN1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)CCl)c3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)CN4CCOCC4)c3)c3ccccc23)cc1
InChIInChI=1S/C37H41N7O4.C33H33ClN6O3.C4H9NO/c1-25-9-11-27(12-10-25)44-34(22-32(42-44)37(2,3)4)41-36(46)39-30-13-14-31(29-8-6-5-7-28(29)30)48-24-26-15-16-38-33(21-26)40-35(45)23-43-17-19-47-20-18-43;1-21-9-11-23(12-10-21)40-30(18-28(39-40)33(2,3)4)38-32(42)36-26-13-14-27(25-8-6-5-7-24(25)26)43-20-22-15-16-35-29(17-22)37-31(41)19-34;1-3-6-4-2-5-1/h5-16,21-22H,17-20,23-24H2,1-4H3,(H,38,40,45)(H2,39,41,46);5-18H,19-20H2,1-4H3,(H,35,37,41)(H2,36,38,42);5H,1-4H2
InChIKeyGHNYZJXUJCDMMR-UHFFFAOYSA-N
XLogP13.55
TPSA254.07 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001332.02
LogP ≤ 513.55
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine with MolForge

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Related Compounds

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CID 45109868
3-[3-tert-butyl-1-(6-methylpyridin-3-yl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
CID 9936768
3-[3-tert-butyl-1-(6-methoxypyridin-3-yl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
CID 10165915
1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-imidazol-1-yl-ethoxy)-naphthalen-1-yl]-urea
CID 10301047
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 46198319
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(pyridin-3-yl)ethoxy]naphthalen-1-yl}urea
CID 11103319
US8933228, Ref 2
CID 46218331
N-(4-((4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)naphthalen-1-yloxy)methyl)pyridin-2-yl)-2-(dimethylamino)acetamide
CID 45254198
1-(4-(2-amino-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)naphthalen-1-yl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 44132375
1-[4-[(2-amino-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 44132690
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea
CID 44133724
1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(4-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)naphthalen-1-yl)urea
CID 44133908

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine?
The IUPAC name of N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine (CID 158258269) is N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine.
What is the SMILES notation for N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine?
The canonical SMILES for N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine is C1COCCN1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)CCl)c3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)CN4CCOCC4)c3)c3ccccc23)cc1.
What is the InChIKey of N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine?
The InChIKey is GHNYZJXUJCDMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N7O4.C33H33ClN6O3.C4H9NO/c1-25-9-11-27(12-10-25)44-34(22-32(42-44)37(2,3)4)41-36(46)39-30-13-14-31(29-8-6-5-7-28(29)30)48-24-26-15-16-38-33(21-26)40-35(45)23-43-17-19-47-20-18-43;1-21-9-11-23(12-10-21)40-30(18-28(39-40)33(2,3)4)38-32(42)36-26-13-14-27(25-8-6-5-7-24(25)26)43-20-22-15-16-35-29(17-22)37-31(41)19-34;1-3-6-4-2-5-1/h5-16,21-22H,17-20,23-24H2,1-4H3,(H,38,40,45)(H2,39,41,46);5-18H,19-20H2,1-4H3,(H,35,37,41)(H2,36,38,42);5H,1-4H2.
What are the key properties of N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine?
N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine has a molecular weight of 1332.02 g/mol, XLogP of 13.55, 17 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-morpholin-4-ylacetamide;morpholine is sourced from PubChem (CID 158258269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).