[(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

C17H19N7O2 — CID 164692614

IUPAC[(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
SMILESCOCc1nnc2n1[C@@H](C)CN(C(=O)c1cc(-c3ccccn3)n[nH]1)C2
InChIInChI=1S/C17H19N7O2/c1-11-8-23(9-15-21-22-16(10-26-2)24(11)15)17(25)14-7-13(19-20-14)12-5-3-4-6-18-12/h3-7,11H,8-10H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyALRXWBIZFLYSKZ-NSHDSACASA-N
MW353.39 g/mol
LogP1.43
Rot. Bonds4

About [(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

[(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 (PubChem CID 164692614) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID164692614
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name[(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
SMILESCOCc1nnc2n1[C@@H](C)CN(C(=O)c1cc(-c3ccccn3)n[nH]1)C2
InChIInChI=1S/C17H19N7O2/c1-11-8-23(9-15-21-22-16(10-26-2)24(11)15)17(25)14-7-13(19-20-14)12-5-3-4-6-18-12/h3-7,11H,8-10H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyALRXWBIZFLYSKZ-NSHDSACASA-N
XLogP1.43
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(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 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]-(3-phenylphenyl)methanone
CID 164689741
[(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]-quinoxalin-2-ylmethanone
CID 164688671
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]-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]-[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
[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 164695860
(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
(2,3-dimethoxyphenyl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164698818
(3S,4R)-4-phenyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 70716066
(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892702

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is COCc1nnc2n1[C@@H](C)CN(C(=O)c1cc(-c3ccccn3)n[nH]1)C2.
What is the InChIKey of [(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?
The InChIKey is ALRXWBIZFLYSKZ-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N7O2/c1-11-8-23(9-15-21-22-16(10-26-2)24(11)15)17(25)14-7-13(19-20-14)12-5-3-4-6-18-12/h3-7,11H,8-10H2,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 353.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 164692614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).