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

C25H28FN7O2 — CID 155295519

IUPAC6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one
SMILESCC1C(=O)NNC(Cc2ccc(F)c(C(=O)N3Cc4nnc(-c5ccccn5)n4C(C)C3)c2)C1C
InChIInChI=1S/C25H28FN7O2/c1-14-12-32(13-22-29-30-23(33(14)22)20-6-4-5-9-27-20)25(35)18-10-17(7-8-19(18)26)11-21-15(2)16(3)24(34)31-28-21/h4-10,14-16,21,28H,11-13H2,1-3H3,(H,31,34)
InChIKeyDXZZWFWGCVUCHO-UHFFFAOYSA-N
MW477.54 g/mol
LogP2.51
Rot. Bonds4

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

6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one (PubChem CID 155295519) has the molecular formula C25H28FN7O2 and a molecular weight of 477.54 g/mol. Its IUPAC name is 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one.

Molecular Properties

Compound Name6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one
PubChem CID155295519
Molecular FormulaC25H28FN7O2
Molecular Weight477.54 g/mol
Exact Mass477.23
IUPAC Name6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one
SMILESCC1C(=O)NNC(Cc2ccc(F)c(C(=O)N3Cc4nnc(-c5ccccn5)n4C(C)C3)c2)C1C
InChIInChI=1S/C25H28FN7O2/c1-14-12-32(13-22-29-30-23(33(14)22)20-6-4-5-9-27-20)25(35)18-10-17(7-8-19(18)26)11-21-15(2)16(3)24(34)31-28-21/h4-10,14-16,21,28H,11-13H2,1-3H3,(H,31,34)
InChIKeyDXZZWFWGCVUCHO-UHFFFAOYSA-N
XLogP2.51
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one?
The IUPAC name of 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one (CID 155295519) is 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one.
What is the SMILES notation for 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one?
The canonical SMILES for 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one is CC1C(=O)NNC(Cc2ccc(F)c(C(=O)N3Cc4nnc(-c5ccccn5)n4C(C)C3)c2)C1C.
What is the InChIKey of 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one?
The InChIKey is DXZZWFWGCVUCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O2/c1-14-12-32(13-22-29-30-23(33(14)22)20-6-4-5-9-27-20)25(35)18-10-17(7-8-19(18)26)11-21-15(2)16(3)24(34)31-28-21/h4-10,14-16,21,28H,11-13H2,1-3H3,(H,31,34).
What are the key properties of 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one?
6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one has a molecular weight of 477.54 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4,5-dimethyldiazinan-3-one is sourced from PubChem (CID 155295519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).