5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide

C25H27N5O3 — CID 53194396

IUPAC5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCC(C)Cn1c(=O)c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)nn2c2ccccc21
InChIInChI=1S/C25H27N5O3/c1-17(2)16-29-21-5-3-4-6-22(21)30-23(25(29)32)15-20(27-30)24(31)26-18-7-9-19(10-8-18)28-11-13-33-14-12-28/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,31)
InChIKeyAJSNDPVAKKSCME-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.39
Rot. Bonds5

About 5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide

5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 53194396) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID53194396
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCC(C)Cn1c(=O)c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)nn2c2ccccc21
InChIInChI=1S/C25H27N5O3/c1-17(2)16-29-21-5-3-4-6-22(21)30-23(25(29)32)15-20(27-30)24(31)26-18-7-9-19(10-8-18)28-11-13-33-14-12-28/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,31)
InChIKeyAJSNDPVAKKSCME-UHFFFAOYSA-N
XLogP3.39
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide
CID 166860255
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CID 40785630
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2094598
1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
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(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
3-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110612966
1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide
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N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 117089575
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508
N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78802659

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide (CID 53194396) is 5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide is CC(C)Cn1c(=O)c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)nn2c2ccccc21.
What is the InChIKey of 5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is AJSNDPVAKKSCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17(2)16-29-21-5-3-4-6-22(21)30-23(25(29)32)15-20(27-30)24(31)26-18-7-9-19(10-8-18)28-11-13-33-14-12-28/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,31).
What are the key properties of 5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 53194396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).