4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one

C22H25N5O2 — CID 165417877

IUPAC4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one
SMILESCC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H25N5O2/c1-13(2)11-18-21-24-20(14-7-8-14)25-27(21)10-9-26(18)22(29)16-12-19(28)23-17-6-4-3-5-15(16)17/h3-6,12-14,18H,7-11H2,1-2H3,(H,23,28)/t18-/m0/s1
InChIKeyZROAGBFXQMTJHW-SFHVURJKSA-N
MW391.48 g/mol
LogP3.24
Rot. Bonds4

About 4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one

4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one (PubChem CID 165417877) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one
PubChem CID165417877
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one
SMILESCC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H25N5O2/c1-13(2)11-18-21-24-20(14-7-8-14)25-27(21)10-9-26(18)22(29)16-12-19(28)23-17-6-4-3-5-15(16)17/h3-6,12-14,18H,7-11H2,1-2H3,(H,23,28)/t18-/m0/s1
InChIKeyZROAGBFXQMTJHW-SFHVURJKSA-N
XLogP3.24
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one with MolForge

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Related Compounds

(2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone
CID 165420164
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
CID 164698895
1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one
CID 164690786
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone
CID 164692337
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone
CID 164699474
1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone
CID 164692596
2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
CID 166310383
1-[2-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-oxoethyl]azepan-2-one
CID 164696234
4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one
CID 63606060
4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 82704916
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 120814628
N-cyclopropyl-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 78850429

Frequently Asked Questions

What is the IUPAC name of 4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one (CID 165417877) is 4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one is CC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one?
The InChIKey is ZROAGBFXQMTJHW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-13(2)11-18-21-24-20(14-7-8-14)25-27(21)10-9-26(18)22(29)16-12-19(28)23-17-6-4-3-5-15(16)17/h3-6,12-14,18H,7-11H2,1-2H3,(H,23,28)/t18-/m0/s1.
What are the key properties of 4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one?
4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one has a molecular weight of 391.48 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 165417877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).