3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile

C23H17N9O — CID 146307290

IUPAC3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile
SMILESCc1cccnc1COc1nc2c(N)nc(-c3cccc(C#N)c3)c(-c3ccncn3)n2n1
InChIInChI=1S/C23H17N9O/c1-14-4-3-8-27-18(14)12-33-23-30-22-21(25)29-19(16-6-2-5-15(10-16)11-24)20(32(22)31-23)17-7-9-26-13-28-17/h2-10,13H,12H2,1H3,(H2,25,29)
InChIKeyUJMOMKZOXSXBEZ-UHFFFAOYSA-N
MW435.45 g/mol
LogP2.98
Rot. Bonds5

About 3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile

3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile (PubChem CID 146307290) has the molecular formula C23H17N9O and a molecular weight of 435.45 g/mol. Its IUPAC name is 3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile.

Molecular Properties

Compound Name3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile
PubChem CID146307290
Molecular FormulaC23H17N9O
Molecular Weight435.45 g/mol
Exact Mass435.16
IUPAC Name3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile
SMILESCc1cccnc1COc1nc2c(N)nc(-c3cccc(C#N)c3)c(-c3ccncn3)n2n1
InChIInChI=1S/C23H17N9O/c1-14-4-3-8-27-18(14)12-33-23-30-22-21(25)29-19(16-6-2-5-15(10-16)11-24)20(32(22)31-23)17-7-9-26-13-28-17/h2-10,13H,12H2,1H3,(H2,25,29)
InChIKeyUJMOMKZOXSXBEZ-UHFFFAOYSA-N
XLogP2.98
TPSA140.79 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile?
The IUPAC name of 3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile (CID 146307290) is 3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile.
What is the SMILES notation for 3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile?
The canonical SMILES for 3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile is Cc1cccnc1COc1nc2c(N)nc(-c3cccc(C#N)c3)c(-c3ccncn3)n2n1.
What is the InChIKey of 3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile?
The InChIKey is UJMOMKZOXSXBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N9O/c1-14-4-3-8-27-18(14)12-33-23-30-22-21(25)29-19(16-6-2-5-15(10-16)11-24)20(32(22)31-23)17-7-9-26-13-28-17/h2-10,13H,12H2,1H3,(H2,25,29).
What are the key properties of 3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile?
3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile has a molecular weight of 435.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile is sourced from PubChem (CID 146307290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).