2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide

C26H23FN6O3 — CID 140912442

IUPAC2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide
SMILESCC1CN(C(=O)c2cc(COc3ccccc3C(N)=O)ccc2F)Cc2nnc(-c3ccccn3)n21
InChIInChI=1S/C26H23FN6O3/c1-16-13-32(14-23-30-31-25(33(16)23)21-7-4-5-11-29-21)26(35)19-12-17(9-10-20(19)27)15-36-22-8-3-2-6-18(22)24(28)34/h2-12,16H,13-15H2,1H3,(H2,28,34)
InChIKeyMSDVWFUQWNJZFT-UHFFFAOYSA-N
MW486.51 g/mol
LogP3.37
Rot. Bonds6

About 2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide

2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide (PubChem CID 140912442) has the molecular formula C26H23FN6O3 and a molecular weight of 486.51 g/mol. Its IUPAC name is 2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide
PubChem CID140912442
Molecular FormulaC26H23FN6O3
Molecular Weight486.51 g/mol
Exact Mass486.18
IUPAC Name2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide
SMILESCC1CN(C(=O)c2cc(COc3ccccc3C(N)=O)ccc2F)Cc2nnc(-c3ccccn3)n21
InChIInChI=1S/C26H23FN6O3/c1-16-13-32(14-23-30-31-25(33(16)23)21-7-4-5-11-29-21)26(35)19-12-17(9-10-20(19)27)15-36-22-8-3-2-6-18(22)24(28)34/h2-12,16H,13-15H2,1H3,(H2,28,34)
InChIKeyMSDVWFUQWNJZFT-UHFFFAOYSA-N
XLogP3.37
TPSA116.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide?
The IUPAC name of 2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide (CID 140912442) is 2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide?
The canonical SMILES for 2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide is CC1CN(C(=O)c2cc(COc3ccccc3C(N)=O)ccc2F)Cc2nnc(-c3ccccn3)n21.
What is the InChIKey of 2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide?
The InChIKey is MSDVWFUQWNJZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3/c1-16-13-32(14-23-30-31-25(33(16)23)21-7-4-5-11-29-21)26(35)19-12-17(9-10-20(19)27)15-36-22-8-3-2-6-18(22)24(28)34/h2-12,16H,13-15H2,1H3,(H2,28,34).
What are the key properties of 2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide?
2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide has a molecular weight of 486.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 140912442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).