N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide

C21H24N4O3 — CID 91890226

IUPACN-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)cc1
InChIInChI=1S/C21H24N4O3/c1-2-28-16-9-7-15(8-10-16)22-19(26)11-12-24-13-14-25-20(21(24)27)17-5-3-4-6-18(17)23-25/h7-10,13-14H,2-6,11-12H2,1H3,(H,22,26)
InChIKeyCVVXSJJIGOXKBQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.80
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide

N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (PubChem CID 91890226) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
PubChem CID91890226
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)cc1
InChIInChI=1S/C21H24N4O3/c1-2-28-16-9-7-15(8-10-16)22-19(26)11-12-24-13-14-25-20(21(24)27)17-5-3-4-6-18(17)23-25/h7-10,13-14H,2-6,11-12H2,1H3,(H,22,26)
InChIKeyCVVXSJJIGOXKBQ-UHFFFAOYSA-N
XLogP2.80
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890240
N-(5-fluoro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890245
N-(4-methylphenyl)-2-(3-oxo-4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1,5,8-trien-4-yl)acetamide
CID 91891611
N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91917313
N-(4-ethoxyphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135546859
N-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide
CID 99745197
2-[(4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
CID 163358302
N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078367
N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide
CID 78862361
N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890117
N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890183
N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078891

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (CID 91890226) is N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is CCOc1ccc(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The InChIKey is CVVXSJJIGOXKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-2-28-16-9-7-15(8-10-16)22-19(26)11-12-24-13-14-25-20(21(24)27)17-5-3-4-6-18(17)23-25/h7-10,13-14H,2-6,11-12H2,1H3,(H,22,26).
What are the key properties of N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide has a molecular weight of 380.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is sourced from PubChem (CID 91890226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).