4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide

C20H28N6O2 — CID 165417821

IUPAC4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide
SMILESCC[C@H](C)[C@H]1c2nc(-c3cccnc3)nn2CCN1C(=O)CCC(=O)N(C)C
InChIInChI=1S/C20H28N6O2/c1-5-14(2)18-20-22-19(15-7-6-10-21-13-15)23-26(20)12-11-25(18)17(28)9-8-16(27)24(3)4/h6-7,10,13-14,18H,5,8-9,11-12H2,1-4H3/t14-,18-/m0/s1
InChIKeyOHUHUBDXGSVGIC-KSSFIOAISA-N
MW384.48 g/mol
LogP2.14
Rot. Bonds6

About 4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide

4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide (PubChem CID 165417821) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide
PubChem CID165417821
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide
SMILESCC[C@H](C)[C@H]1c2nc(-c3cccnc3)nn2CCN1C(=O)CCC(=O)N(C)C
InChIInChI=1S/C20H28N6O2/c1-5-14(2)18-20-22-19(15-7-6-10-21-13-15)23-26(20)12-11-25(18)17(28)9-8-16(27)24(3)4/h6-7,10,13-14,18H,5,8-9,11-12H2,1-4H3/t14-,18-/m0/s1
InChIKeyOHUHUBDXGSVGIC-KSSFIOAISA-N
XLogP2.14
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide?
The IUPAC name of 4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide (CID 165417821) is 4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide.
What is the SMILES notation for 4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide?
The canonical SMILES for 4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide is CC[C@H](C)[C@H]1c2nc(-c3cccnc3)nn2CCN1C(=O)CCC(=O)N(C)C.
What is the InChIKey of 4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide?
The InChIKey is OHUHUBDXGSVGIC-KSSFIOAISA-N. The full InChI is InChI=1S/C20H28N6O2/c1-5-14(2)18-20-22-19(15-7-6-10-21-13-15)23-26(20)12-11-25(18)17(28)9-8-16(27)24(3)4/h6-7,10,13-14,18H,5,8-9,11-12H2,1-4H3/t14-,18-/m0/s1.
What are the key properties of 4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide?
4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide has a molecular weight of 384.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8S)-8-[(2S)-butan-2-yl]-2-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-N,N-dimethyl-4-oxobutanamide is sourced from PubChem (CID 165417821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).