(8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C18H18FN5O2 — CID 164700148

IUPAC(8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOCc1nnc2n1[C@@H](C)CN(C(=O)c1ccc3cccc(F)c3n1)C2
InChIInChI=1S/C18H18FN5O2/c1-11-8-23(9-15-21-22-16(10-26-2)24(11)15)18(25)14-7-6-12-4-3-5-13(19)17(12)20-14/h3-7,11H,8-10H2,1-2H3/t11-/m0/s1
InChIKeyIQWHPRZKSHCFRK-NSHDSACASA-N
MW355.37 g/mol
LogP2.33
Rot. Bonds3

About (8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 164700148) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is (8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID164700148
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name(8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOCc1nnc2n1[C@@H](C)CN(C(=O)c1ccc3cccc(F)c3n1)C2
InChIInChI=1S/C18H18FN5O2/c1-11-8-23(9-15-21-22-16(10-26-2)24(11)15)18(25)14-7-6-12-4-3-5-13(19)17(12)20-14/h3-7,11H,8-10H2,1-2H3/t11-/m0/s1
InChIKeyIQWHPRZKSHCFRK-NSHDSACASA-N
XLogP2.33
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinoxalin-2-ylmethanone
CID 164688671
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 164692864
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-phenylphenyl)methanone
CID 164689741
3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]benzonitrile
CID 164692640
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-phenoxyphenyl)methanone
CID 164688178
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 164692366
(2S)-2-amino-3-hydroxy-1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 164690039
(6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 165422600
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 164695736
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 164692614
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164696848
1-[(3R,4S)-1-(8-fluoroquinoline-2-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134697538

Frequently Asked Questions

What is the IUPAC name of (8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 164700148) is (8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is COCc1nnc2n1[C@@H](C)CN(C(=O)c1ccc3cccc(F)c3n1)C2.
What is the InChIKey of (8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is IQWHPRZKSHCFRK-NSHDSACASA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-11-8-23(9-15-21-22-16(10-26-2)24(11)15)18(25)14-7-6-12-4-3-5-13(19)17(12)20-14/h3-7,11H,8-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 355.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoroquinolin-2-yl)-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164700148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).