N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

C19H19FN4O2 — CID 91890183

IUPACN-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCC1CCc2nn3ccn(CC(=O)Nc4ccc(F)cc4)c(=O)c3c2C1
InChIInChI=1S/C19H19FN4O2/c1-12-2-7-16-15(10-12)18-19(26)23(8-9-24(18)22-16)11-17(25)21-14-5-3-13(20)4-6-14/h3-6,8-9,12H,2,7,10-11H2,1H3,(H,21,25)
InChIKeyVCXKWVUPDCKIIY-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.40
Rot. Bonds3

About N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 91890183) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID91890183
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCC1CCc2nn3ccn(CC(=O)Nc4ccc(F)cc4)c(=O)c3c2C1
InChIInChI=1S/C19H19FN4O2/c1-12-2-7-16-15(10-12)18-19(26)23(8-9-24(18)22-16)11-17(25)21-14-5-3-13(20)4-6-14/h3-6,8-9,12H,2,7,10-11H2,1H3,(H,21,25)
InChIKeyVCXKWVUPDCKIIY-UHFFFAOYSA-N
XLogP2.40
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 91890183) is N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is CC1CCc2nn3ccn(CC(=O)Nc4ccc(F)cc4)c(=O)c3c2C1.
What is the InChIKey of N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is VCXKWVUPDCKIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-12-2-7-16-15(10-12)18-19(26)23(8-9-24(18)22-16)11-17(25)21-14-5-3-13(20)4-6-14/h3-6,8-9,12H,2,7,10-11H2,1H3,(H,21,25).
What are the key properties of N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide has a molecular weight of 354.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 91890183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).