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

C19H19FN4O2 — CID 91890147

IUPACN-[(4-fluorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESO=C(Cn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O2/c20-14-7-5-13(6-8-14)11-21-17(25)12-23-9-10-24-18(19(23)26)15-3-1-2-4-16(15)22-24/h5-10H,1-4,11-12H2,(H,21,25)
InChIKeyWGSCMRIVNYITBO-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.83
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 91890147) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID91890147
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESO=C(Cn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O2/c20-14-7-5-13(6-8-14)11-21-17(25)12-23-9-10-24-18(19(23)26)15-3-1-2-4-16(15)22-24/h5-10H,1-4,11-12H2,(H,21,25)
InChIKeyWGSCMRIVNYITBO-UHFFFAOYSA-N
XLogP1.83
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 91890147) is N-[(4-fluorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is WGSCMRIVNYITBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-14-7-5-13(6-8-14)11-21-17(25)12-23-9-10-24-18(19(23)26)15-3-1-2-4-16(15)22-24/h5-10H,1-4,11-12H2,(H,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(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 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 91890147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).