methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate

C22H21BrN4O4 — CID 55670752

IUPACmethyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C22H21BrN4O4/c1-30-22(29)19-12-18(26-8-10-31-11-9-26)6-7-20(19)25-21(28)15-2-4-17(5-3-15)27-14-16(23)13-24-27/h2-7,12-14H,8-11H2,1H3,(H,25,28)
InChIKeyGCWJLNSAYRDUFE-UHFFFAOYSA-N
MW485.34 g/mol
LogP3.51
Rot. Bonds5

About methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate

methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate (PubChem CID 55670752) has the molecular formula C22H21BrN4O4 and a molecular weight of 485.34 g/mol. Its IUPAC name is methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate
PubChem CID55670752
Molecular FormulaC22H21BrN4O4
Molecular Weight485.34 g/mol
Exact Mass484.07
IUPAC Namemethyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C22H21BrN4O4/c1-30-22(29)19-12-18(26-8-10-31-11-9-26)6-7-20(19)25-21(28)15-2-4-17(5-3-15)27-14-16(23)13-24-27/h2-7,12-14H,8-11H2,1H3,(H,25,28)
InChIKeyGCWJLNSAYRDUFE-UHFFFAOYSA-N
XLogP3.51
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate with MolForge

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Related Compounds

methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 71881377
methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840970
N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 38824494
methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 46450917
4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 55780337
4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 38761795
methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 55670935
methyl 2-[[2-(methylamino)acetyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840940
methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
CID 56523449
methyl 2-[(3-amino-2-methylbutanoyl)amino]-5-morpholin-4-ylbenzoate
CID 120502747
N-(2-acetyl-4-morpholin-4-ylphenyl)-4-phenylbenzamide
CID 71711464
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate (CID 55670752) is methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate is COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate?
The InChIKey is GCWJLNSAYRDUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O4/c1-30-22(29)19-12-18(26-8-10-31-11-9-26)6-7-20(19)25-21(28)15-2-4-17(5-3-15)27-14-16(23)13-24-27/h2-7,12-14H,8-11H2,1H3,(H,25,28).
What are the key properties of methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate?
methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate has a molecular weight of 485.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate is sourced from PubChem (CID 55670752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).