2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

C22H24FN5O2 — CID 91927501

IUPAC2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESO=C(Cn1ccn2nc3c(c2c1=O)CCCC3)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24FN5O2/c23-16-5-7-17(8-6-16)25-9-11-26(12-10-25)20(29)15-27-13-14-28-21(22(27)30)18-3-1-2-4-19(18)24-28/h5-8,13-14H,1-4,9-12,15H2
InChIKeyJDECJJCXCQBNJU-UHFFFAOYSA-N
MW409.47 g/mol
LogP1.86
Rot. Bonds3

About 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (PubChem CID 91927501) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
PubChem CID91927501
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESO=C(Cn1ccn2nc3c(c2c1=O)CCCC3)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24FN5O2/c23-16-5-7-17(8-6-16)25-9-11-26(12-10-25)20(29)15-27-13-14-28-21(22(27)30)18-3-1-2-4-19(18)24-28/h5-8,13-14H,1-4,9-12,15H2
InChIKeyJDECJJCXCQBNJU-UHFFFAOYSA-N
XLogP1.86
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
CID 91917264
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 1129699
N-(5-fluoro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890245
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 861157
7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 45498996
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
CID 55434716
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 6621015
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 21070969
6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121063468

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The IUPAC name of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (CID 91927501) is 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.
What is the SMILES notation for 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The canonical SMILES for 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The InChIKey is JDECJJCXCQBNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-16-5-7-17(8-6-16)25-9-11-26(12-10-25)20(29)15-27-13-14-28-21(22(27)30)18-3-1-2-4-19(18)24-28/h5-8,13-14H,1-4,9-12,15H2.
What are the key properties of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one has a molecular weight of 409.47 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is sourced from PubChem (CID 91927501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).