N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

C19H15FN8O — CID 155513259

IUPACN-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cn2ncnc2C(N)=N1
InChIInChI=1S/C19H15FN8O/c1-19(9-28-17(16(22)27-19)24-10-25-28)13-6-12(3-4-14(13)20)26-18(29)15-5-2-11(7-21)8-23-15/h2-6,8,10H,9H2,1H3,(H2,22,27)(H,26,29)/t19-/m0/s1
InChIKeyJFCUNFPTQJPQES-IBGZPJMESA-N
MW390.38 g/mol
LogP1.57
Rot. Bonds3

About N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide (PubChem CID 155513259) has the molecular formula C19H15FN8O and a molecular weight of 390.38 g/mol. Its IUPAC name is N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
PubChem CID155513259
Molecular FormulaC19H15FN8O
Molecular Weight390.38 g/mol
Exact Mass390.14
IUPAC NameN-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cn2ncnc2C(N)=N1
InChIInChI=1S/C19H15FN8O/c1-19(9-28-17(16(22)27-19)24-10-25-28)13-6-12(3-4-14(13)20)26-18(29)15-5-2-11(7-21)8-23-15/h2-6,8,10H,9H2,1H3,(H2,22,27)(H,26,29)/t19-/m0/s1
InChIKeyJFCUNFPTQJPQES-IBGZPJMESA-N
XLogP1.57
TPSA134.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide (CID 155513259) is N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide is C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cn2ncnc2C(N)=N1.
What is the InChIKey of N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is JFCUNFPTQJPQES-IBGZPJMESA-N. The full InChI is InChI=1S/C19H15FN8O/c1-19(9-28-17(16(22)27-19)24-10-25-28)13-6-12(3-4-14(13)20)26-18(29)15-5-2-11(7-21)8-23-15/h2-6,8,10H,9H2,1H3,(H2,22,27)(H,26,29)/t19-/m0/s1.
What are the key properties of N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 390.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6R)-8-amino-6-methyl-5H-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 155513259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).