6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one

C18H21N5O3S — CID 165423740

IUPAC6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H21N5O3S/c1-11-18-20-17(12-2-3-12)21-22(18)8-9-23(11)27(25,26)14-5-6-15-13(10-14)4-7-16(24)19-15/h5-6,10-12H,2-4,7-9H2,1H3,(H,19,24)/t11-/m1/s1
InChIKeyACQKEBAXPJUBLV-LLVKDONJSA-N
MW387.47 g/mol
LogP1.81
Rot. Bonds3

About 6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one

6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 165423740) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID165423740
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H21N5O3S/c1-11-18-20-17(12-2-3-12)21-22(18)8-9-23(11)27(25,26)14-5-6-15-13(10-14)4-7-16(24)19-15/h5-6,10-12H,2-4,7-9H2,1H3,(H,19,24)/t11-/m1/s1
InChIKeyACQKEBAXPJUBLV-LLVKDONJSA-N
XLogP1.81
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

(8R)-2-cyclopropyl-7-(3,4-difluorophenyl)sulfonyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 164700379
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7012461
7-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 94602506
6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 75400365
N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 5209840
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
6-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122269029
6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 18133809
6-[[(2S,3S)-2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
CID 96541833
(8R)-2-cyclopropyl-8-methyl-7-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 171912773
5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110707877

Frequently Asked Questions

What is the IUPAC name of 6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one (CID 165423740) is 6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one is C[C@@H]1c2nc(C3CC3)nn2CCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ACQKEBAXPJUBLV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-11-18-20-17(12-2-3-12)21-22(18)8-9-23(11)27(25,26)14-5-6-15-13(10-14)4-7-16(24)19-15/h5-6,10-12H,2-4,7-9H2,1H3,(H,19,24)/t11-/m1/s1.
What are the key properties of 6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one?
6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 387.47 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 165423740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).