ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate

C24H22N6O3 — CID 108738829

IUPACethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C24H22N6O3/c1-3-33-24(32)16-14-25-29(2)22(16)28-20(31)12-13-30-19-11-7-4-8-15(19)21-23(30)27-18-10-6-5-9-17(18)26-21/h4-11,14H,3,12-13H2,1-2H3,(H,28,31)
InChIKeyAGUSENDJHMWJBI-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.68
Rot. Bonds6

About ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate

ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate (PubChem CID 108738829) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate
PubChem CID108738829
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Nameethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C24H22N6O3/c1-3-33-24(32)16-14-25-29(2)22(16)28-20(31)12-13-30-19-11-7-4-8-15(19)21-23(30)27-18-10-6-5-9-17(18)26-21/h4-11,14H,3,12-13H2,1-2H3,(H,28,31)
InChIKeyAGUSENDJHMWJBI-UHFFFAOYSA-N
XLogP3.68
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806370
prop-2-enyl 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 108794819
N-(2-fluorophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806337
3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide
CID 108794763
4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110480553
ethyl 5-[(2-benzamidoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761488
ethyl 5-(3,3-diphenylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738872
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid
CID 108806279
3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108794823
ethyl 5-[(2-cyanoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 110459593
N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794841

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate (CID 108738829) is ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)CCn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate?
The InChIKey is AGUSENDJHMWJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-3-33-24(32)16-14-25-29(2)22(16)28-20(31)12-13-30-19-11-7-4-8-15(19)21-23(30)27-18-10-6-5-9-17(18)26-21/h4-11,14H,3,12-13H2,1-2H3,(H,28,31).
What are the key properties of ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate?
ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate has a molecular weight of 442.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 108738829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).