2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

C17H22N4O2S — CID 91917271

IUPAC2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)N1CCSCC1
InChIInChI=1S/C17H22N4O2S/c22-15(19-9-11-24-12-10-19)5-6-20-7-8-21-16(17(20)23)13-3-1-2-4-14(13)18-21/h7-8H,1-6,9-12H2
InChIKeyXMVZISBNAPILIK-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.34
Rot. Bonds3

About 2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (PubChem CID 91917271) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.

Molecular Properties

Compound Name2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
PubChem CID91917271
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)N1CCSCC1
InChIInChI=1S/C17H22N4O2S/c22-15(19-9-11-24-12-10-19)5-6-20-7-8-21-16(17(20)23)13-3-1-2-4-14(13)18-21/h7-8H,1-6,9-12H2
InChIKeyXMVZISBNAPILIK-UHFFFAOYSA-N
XLogP1.34
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one with MolForge

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Related Compounds

N-cyclohexyl-N-methyl-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890131
N-(3-methylbutyl)-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890109
9-methyl-3-[(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)carbonyl]-3,9-diazaspiro[5.6]dodecane
CID 56740442
1,9-dimethyl-4-[(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72887277
(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)acetonitrile
CID 91890082
N-(butan-2-yl)-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890107
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890108
N-Butyl-N-ethyl-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-B]indazol-2-YL}acetamide
CID 91890110
2-(1-Oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890120
2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}-N-propylacetamide
CID 91890167
N-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890254
N-cyclopentyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91917253

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The IUPAC name of 2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (CID 91917271) is 2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.
What is the SMILES notation for 2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The canonical SMILES for 2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)N1CCSCC1.
What is the InChIKey of 2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The InChIKey is XMVZISBNAPILIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c22-15(19-9-11-24-12-10-19)5-6-20-7-8-21-16(17(20)23)13-3-1-2-4-14(13)18-21/h7-8H,1-6,9-12H2.
What are the key properties of 2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one has a molecular weight of 346.46 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-3-thiomorpholin-4-ylpropyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is sourced from PubChem (CID 91917271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).