1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone

C20H24N6O2 — CID 154582069

IUPAC1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone
SMILESCN1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)Cc1c[nH]c3ccccc13)C2
InChIInChI=1S/C20H24N6O2/c1-24-11-14(27)9-17(24)20-23-22-18-12-25(6-7-26(18)20)19(28)8-13-10-21-16-5-3-2-4-15(13)16/h2-5,10,14,17,21,27H,6-9,11-12H2,1H3/t14-,17+/m1/s1
InChIKeyYHNNRLKXGICWCH-PBHICJAKSA-N
MW380.45 g/mol
LogP1.08
Rot. Bonds3

About 1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone

1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 154582069) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID154582069
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone
SMILESCN1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)Cc1c[nH]c3ccccc13)C2
InChIInChI=1S/C20H24N6O2/c1-24-11-14(27)9-17(24)20-23-22-18-12-25(6-7-26(18)20)19(28)8-13-10-21-16-5-3-2-4-15(13)16/h2-5,10,14,17,21,27H,6-9,11-12H2,1H3/t14-,17+/m1/s1
InChIKeyYHNNRLKXGICWCH-PBHICJAKSA-N
XLogP1.08
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone with MolForge

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Related Compounds

1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-phenylethanone
CID 110203986
3-(1H-indol-3-yl)-1-[3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 92625414
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 75479286
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(1H-indol-3-yl)ethanone
CID 63586100
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
(3R,5S)-5-[7-(benzenesulfonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-1-methylpyrrolidin-3-ol
CID 110203959
1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-indol-3-yl)ethanone
CID 71099604
2-(4-fluorophenyl)-1-[3-[(2R)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 92640636
2-(1H-indol-3-yl)-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053939
1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
CID 110743361
2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 78793992

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone (CID 154582069) is 1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone is CN1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)Cc1c[nH]c3ccccc13)C2.
What is the InChIKey of 1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is YHNNRLKXGICWCH-PBHICJAKSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-24-11-14(27)9-17(24)20-23-22-18-12-25(6-7-26(18)20)19(28)8-13-10-21-16-5-3-2-4-15(13)16/h2-5,10,14,17,21,27H,6-9,11-12H2,1H3/t14-,17+/m1/s1.
What are the key properties of 1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone?
1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 380.45 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 154582069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).