N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide

C23H28N4O4 — CID 91890227

IUPACN-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)c1
InChIInChI=1S/C23H28N4O4/c1-3-30-16-9-10-20(31-4-2)19(15-16)24-21(28)11-12-26-13-14-27-22(23(26)29)17-7-5-6-8-18(17)25-27/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,24,28)
InChIKeyBXTYGTICCVHFLQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.20
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide

N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (PubChem CID 91890227) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
PubChem CID91890227
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)c1
InChIInChI=1S/C23H28N4O4/c1-3-30-16-9-10-20(31-4-2)19(15-16)24-21(28)11-12-26-13-14-27-22(23(26)29)17-7-5-6-8-18(17)25-27/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,24,28)
InChIKeyBXTYGTICCVHFLQ-UHFFFAOYSA-N
XLogP3.20
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890226
N-(5-fluoro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890245
N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890240
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,5-diethoxyphenyl)propanamide
CID 8909426
N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91917313
N-(2,5-dimethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
CID 27441053
2-[(4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
CID 163358302
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078891
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078367

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (CID 91890227) is N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is CCOc1ccc(OCC)c(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The InChIKey is BXTYGTICCVHFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-3-30-16-9-10-20(31-4-2)19(15-16)24-21(28)11-12-26-13-14-27-22(23(26)29)17-7-5-6-8-18(17)25-27/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,24,28).
What are the key properties of N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide has a molecular weight of 424.50 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is sourced from PubChem (CID 91890227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).