isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone

C20H22N6O — CID 92625184

IUPACisoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1nccc2ccccc12)N1CCC[C@@H](c2nnc3n2CCNC3)C1
InChIInChI=1S/C20H22N6O/c27-20(18-16-6-2-1-4-14(16)7-8-22-18)25-10-3-5-15(13-25)19-24-23-17-12-21-9-11-26(17)19/h1-2,4,6-8,15,21H,3,5,9-13H2/t15-/m1/s1
InChIKeyFCNJXWPYQXQIAV-OAHLLOKOSA-N
MW362.44 g/mol
LogP1.95
Rot. Bonds2

About isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone

isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone (PubChem CID 92625184) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
PubChem CID92625184
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Nameisoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1nccc2ccccc12)N1CCC[C@@H](c2nnc3n2CCNC3)C1
InChIInChI=1S/C20H22N6O/c27-20(18-16-6-2-1-4-14(16)7-8-22-18)25-10-3-5-15(13-25)19-24-23-17-12-21-9-11-26(17)19/h1-2,4,6-8,15,21H,3,5,9-13H2/t15-/m1/s1
InChIKeyFCNJXWPYQXQIAV-OAHLLOKOSA-N
XLogP1.95
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
3-(2-methylphenoxy)-1-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92625220
morpholin-4-yl-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 134788764
N,N-dimethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 134787393
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462
[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 164633243
isoquinolin-1-yl-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124951974
(2-methoxy-3-methylphenyl)-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)piperidin-1-yl]methanone
CID 92623934
2-(2-methoxy-4-methylphenoxy)-1-[(3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 92625239
(3,4-dihydroxypyrrolidin-1-yl)-isoquinolin-1-ylmethanone
CID 106671738
isoquinolin-1-yl-[(3S)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 25296938
3-[(3R)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 92625224

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone (CID 92625184) is isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone is O=C(c1nccc2ccccc12)N1CCC[C@@H](c2nnc3n2CCNC3)C1.
What is the InChIKey of isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The InChIKey is FCNJXWPYQXQIAV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(18-16-6-2-1-4-14(16)7-8-22-18)25-10-3-5-15(13-25)19-24-23-17-12-21-9-11-26(17)19/h1-2,4,6-8,15,21H,3,5,9-13H2/t15-/m1/s1.
What are the key properties of isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 362.44 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl-[(3R)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92625184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).