(5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone

C17H21N5O2 — CID 166358412

IUPAC(5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone
SMILESCCOc1cnc(C(=O)N2CCn3nc4c(c3C2)CCCC4)cn1
InChIInChI=1S/C17H21N5O2/c1-2-24-16-10-18-14(9-19-16)17(23)21-7-8-22-15(11-21)12-5-3-4-6-13(12)20-22/h9-10H,2-8,11H2,1H3
InChIKeyMNEJRHUCNACGLO-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.61
Rot. Bonds3

About (5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone

(5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone (PubChem CID 166358412) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone.

Molecular Properties

Compound Name(5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone
PubChem CID166358412
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone
SMILESCCOc1cnc(C(=O)N2CCn3nc4c(c3C2)CCCC4)cn1
InChIInChI=1S/C17H21N5O2/c1-2-24-16-10-18-14(9-19-16)17(23)21-7-8-22-15(11-21)12-5-3-4-6-13(12)20-22/h9-10H,2-8,11H2,1H3
InChIKeyMNEJRHUCNACGLO-UHFFFAOYSA-N
XLogP1.61
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone with MolForge

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Related Compounds

(5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 126781042
2-(4-propan-2-ylsulfonylphenyl)-1-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-yl)ethanone
CID 119102611
5-ethoxypyrazine-2-carbonyl chloride
CID 45081638
(E)-3-(2,5-difluorophenyl)-1-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-yl)prop-2-en-1-one
CID 121019872
(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone
CID 138012731
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 87002326
ethyl 4-[5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 109275554
1-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103803140
5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108545155
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 53192932

Frequently Asked Questions

What is the IUPAC name of (5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone?
The IUPAC name of (5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone (CID 166358412) is (5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone.
What is the SMILES notation for (5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone?
The canonical SMILES for (5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone is CCOc1cnc(C(=O)N2CCn3nc4c(c3C2)CCCC4)cn1.
What is the InChIKey of (5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone?
The InChIKey is MNEJRHUCNACGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-2-24-16-10-18-14(9-19-16)17(23)21-7-8-22-15(11-21)12-5-3-4-6-13(12)20-22/h9-10H,2-8,11H2,1H3.
What are the key properties of (5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone?
(5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone has a molecular weight of 327.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone is sourced from PubChem (CID 166358412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).