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

C24H20N8O2 — CID 139508729

IUPAC3-[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
SMILESCOCc1nc(C)oc1-c1c(-c2cccc(C#N)c2)nc(N)n2nc(Cc3ccccn3)nc12
InChIInChI=1S/C24H20N8O2/c1-14-28-18(13-33-2)22(34-14)20-21(16-7-5-6-15(10-16)12-25)30-24(26)32-23(20)29-19(31-32)11-17-8-3-4-9-27-17/h3-10H,11,13H2,1-2H3,(H2,26,30)
InChIKeyAUVITSIYJLPWLX-UHFFFAOYSA-N
MW452.48 g/mol
LogP3.34
Rot. Bonds6

About 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

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 (PubChem CID 139508729) has the molecular formula C24H20N8O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID139508729
Molecular FormulaC24H20N8O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC Name3-[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
SMILESCOCc1nc(C)oc1-c1c(-c2cccc(C#N)c2)nc(N)n2nc(Cc3ccccn3)nc12
InChIInChI=1S/C24H20N8O2/c1-14-28-18(13-33-2)22(34-14)20-21(16-7-5-6-15(10-16)12-25)30-24(26)32-23(20)29-19(31-32)11-17-8-3-4-9-27-17/h3-10H,11,13H2,1-2H3,(H2,26,30)
InChIKeyAUVITSIYJLPWLX-UHFFFAOYSA-N
XLogP3.34
TPSA141.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508840
8-(2-ethylpyrazol-3-yl)-7-(3-isocyanophenyl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 153433698
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-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146307207
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
3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile
CID 58004350
3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile
CID 149388971
3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146320958
8-(2-chloro-6-methyl-4-pyridinyl)-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490611
8-[2-(difluoromethoxy)-6-methyl-4-pyridinyl]-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 155210450

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCc1nc(C)oc1-c1c(-c2cccc(C#N)c2)nc(N)n2nc(Cc3ccccn3)nc12.
What is the InChIKey of 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?
The InChIKey is AUVITSIYJLPWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2/c1-14-28-18(13-33-2)22(34-14)20-21(16-7-5-6-15(10-16)12-25)30-24(26)32-23(20)29-19(31-32)11-17-8-3-4-9-27-17/h3-10H,11,13H2,1-2H3,(H2,26,30).
What are the key properties of 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?
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 has a molecular weight of 452.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139508729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).