2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile

C25H19FN8O2 — CID 175743337

IUPAC2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
SMILESCOc1cc(-c2c(-c3ccccc3C#N)nc(N)n3nc(OCc4ncccc4F)nc23)cc(C)n1
InChIInChI=1S/C25H19FN8O2/c1-14-10-16(11-20(30-14)35-2)21-22(17-7-4-3-6-15(17)12-27)31-24(28)34-23(21)32-25(33-34)36-13-19-18(26)8-5-9-29-19/h3-11H,13H2,1-2H3,(H2,28,31)
InChIKeyGAMGNBSVWSXJMV-UHFFFAOYSA-N
MW482.48 g/mol
LogP3.74
Rot. Bonds6

About 2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile

2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile (PubChem CID 175743337) has the molecular formula C25H19FN8O2 and a molecular weight of 482.48 g/mol. Its IUPAC name is 2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
PubChem CID175743337
Molecular FormulaC25H19FN8O2
Molecular Weight482.48 g/mol
Exact Mass482.16
IUPAC Name2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
SMILESCOc1cc(-c2c(-c3ccccc3C#N)nc(N)n3nc(OCc4ncccc4F)nc23)cc(C)n1
InChIInChI=1S/C25H19FN8O2/c1-14-10-16(11-20(30-14)35-2)21-22(17-7-4-3-6-15(17)12-27)31-24(28)34-23(21)32-25(33-34)36-13-19-18(26)8-5-9-29-19/h3-11H,13H2,1-2H3,(H2,28,31)
InChIKeyGAMGNBSVWSXJMV-UHFFFAOYSA-N
XLogP3.74
TPSA137.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
The IUPAC name of 2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile (CID 175743337) is 2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile.
What is the SMILES notation for 2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
The canonical SMILES for 2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile is COc1cc(-c2c(-c3ccccc3C#N)nc(N)n3nc(OCc4ncccc4F)nc23)cc(C)n1.
What is the InChIKey of 2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
The InChIKey is GAMGNBSVWSXJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN8O2/c1-14-10-16(11-20(30-14)35-2)21-22(17-7-4-3-6-15(17)12-27)31-24(28)34-23(21)32-25(33-34)36-13-19-18(26)8-5-9-29-19/h3-11H,13H2,1-2H3,(H2,28,31).
What are the key properties of 2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile has a molecular weight of 482.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile is sourced from PubChem (CID 175743337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).