N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine

C17H13FN8O — CID 89492527

IUPACN-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine
SMILESC[C@@H](Nc1nc(-c2cnn3ccncc23)ncc1N=O)c1ccc(F)cn1
InChIInChI=1S/C17H13FN8O/c1-10(13-3-2-11(18)6-20-13)23-17-14(25-27)8-21-16(24-17)12-7-22-26-5-4-19-9-15(12)26/h2-10H,1H3,(H,21,23,24)/t10-/m1/s1
InChIKeyQOZHNTGTKMUITM-SNVBAGLBSA-N
MW364.34 g/mol
LogP3.29
Rot. Bonds5

About N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine

N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine (PubChem CID 89492527) has the molecular formula C17H13FN8O and a molecular weight of 364.34 g/mol. Its IUPAC name is N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine
PubChem CID89492527
Molecular FormulaC17H13FN8O
Molecular Weight364.34 g/mol
Exact Mass364.12
IUPAC NameN-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine
SMILESC[C@@H](Nc1nc(-c2cnn3ccncc23)ncc1N=O)c1ccc(F)cn1
InChIInChI=1S/C17H13FN8O/c1-10(13-3-2-11(18)6-20-13)23-17-14(25-27)8-21-16(24-17)12-7-22-26-5-4-19-9-15(12)26/h2-10H,1H3,(H,21,23,24)/t10-/m1/s1
InChIKeyQOZHNTGTKMUITM-SNVBAGLBSA-N
XLogP3.29
TPSA110.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine (CID 89492527) is N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine is C[C@@H](Nc1nc(-c2cnn3ccncc23)ncc1N=O)c1ccc(F)cn1.
What is the InChIKey of N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine?
The InChIKey is QOZHNTGTKMUITM-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13FN8O/c1-10(13-3-2-11(18)6-20-13)23-17-14(25-27)8-21-16(24-17)12-7-22-26-5-4-19-9-15(12)26/h2-10H,1H3,(H,21,23,24)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine?
N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine has a molecular weight of 364.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitroso-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 89492527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).