3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile

C22H15FN8O — CID 146307033

IUPAC3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile
SMILESCc1ncoc1-c1c(-c2cccc(C#N)c2F)nc(N)c2nc(Cc3ccccn3)nn12
InChIInChI=1S/C22H15FN8O/c1-12-20(32-11-27-12)19-18(15-7-4-5-13(10-24)17(15)23)29-21(25)22-28-16(30-31(19)22)9-14-6-2-3-8-26-14/h2-8,11H,9H2,1H3,(H2,25,29)
InChIKeyIDWHALIDTOQSKI-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.33
Rot. Bonds4

About 3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile

3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile (PubChem CID 146307033) has the molecular formula C22H15FN8O and a molecular weight of 426.42 g/mol. Its IUPAC name is 3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile
PubChem CID146307033
Molecular FormulaC22H15FN8O
Molecular Weight426.42 g/mol
Exact Mass426.14
IUPAC Name3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile
SMILESCc1ncoc1-c1c(-c2cccc(C#N)c2F)nc(N)c2nc(Cc3ccccn3)nn12
InChIInChI=1S/C22H15FN8O/c1-12-20(32-11-27-12)19-18(15-7-4-5-13(10-24)17(15)23)29-21(25)22-28-16(30-31(19)22)9-14-6-2-3-8-26-14/h2-8,11H,9H2,1H3,(H2,25,29)
InChIKeyIDWHALIDTOQSKI-UHFFFAOYSA-N
XLogP3.33
TPSA131.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile with MolForge

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Related Compounds

3-[8-amino-2-[(2-fluoro-6-formylphenyl)methyl]-5-(4-methyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146307304
3-[8-amino-2-[(2,6-difluorophenyl)-hydroxymethyl]-5-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile
CID 146307143
3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile
CID 175711323
3-[5-amino-8-[4-(methoxymethyl)-2-methyl-1,3-oxazol-5-yl]-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508729
3-[5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508728
6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile
CID 146490861
3-[5-amino-8-bromo-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508800
3-[5-amino-8-bromo-2-[(2,6-difluorophenyl)-hydroxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-2-fluorobenzonitrile
CID 148714565
3-(4-amino-2-benzyl-7-quinoxalin-6-yltriazolo[4,5-c]pyridin-6-yl)-2-fluorobenzonitrile
CID 155076153
2-fluoro-3-(6-methyl-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
CID 165020634
2-[8-amino-2-[[2-(difluoromethoxy)-6-fluorophenyl]-hydroxymethyl]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 175980755
2-[(5-fluoro-2-pyridinyl)methyl]-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 156821407

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile?
The IUPAC name of 3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile (CID 146307033) is 3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile?
The canonical SMILES for 3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile is Cc1ncoc1-c1c(-c2cccc(C#N)c2F)nc(N)c2nc(Cc3ccccn3)nn12.
What is the InChIKey of 3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile?
The InChIKey is IDWHALIDTOQSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN8O/c1-12-20(32-11-27-12)19-18(15-7-4-5-13(10-24)17(15)23)29-21(25)22-28-16(30-31(19)22)9-14-6-2-3-8-26-14/h2-8,11H,9H2,1H3,(H2,25,29).
What are the key properties of 3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile?
3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile has a molecular weight of 426.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-5-(4-methyl-1,3-oxazol-5-yl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 146307033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).