6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C17H13FN8O — CID 176816248

IUPAC6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC[C@@H](Oc1cc(-c2n[nH]nc2N)cn2ncc(C#N)c12)c1ccc(F)cn1
InChIInChI=1S/C17H13FN8O/c1-9(13-3-2-12(18)7-21-13)27-14-4-10(15-17(20)24-25-23-15)8-26-16(14)11(5-19)6-22-26/h2-4,6-9H,1H3,(H3,20,23,24,25)/t9-/m1/s1
InChIKeyHJHPHVZAKYVYGN-SECBINFHSA-N
MW364.34 g/mol
LogP2.25
Rot. Bonds4

About 6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 176816248) has the molecular formula C17H13FN8O and a molecular weight of 364.34 g/mol. Its IUPAC name is 6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID176816248
Molecular FormulaC17H13FN8O
Molecular Weight364.34 g/mol
Exact Mass364.12
IUPAC Name6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC[C@@H](Oc1cc(-c2n[nH]nc2N)cn2ncc(C#N)c12)c1ccc(F)cn1
InChIInChI=1S/C17H13FN8O/c1-9(13-3-2-12(18)7-21-13)27-14-4-10(15-17(20)24-25-23-15)8-26-16(14)11(5-19)6-22-26/h2-4,6-9H,1H3,(H3,20,23,24,25)/t9-/m1/s1
InChIKeyHJHPHVZAKYVYGN-SECBINFHSA-N
XLogP2.25
TPSA130.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 176816248) is 6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is C[C@@H](Oc1cc(-c2n[nH]nc2N)cn2ncc(C#N)c12)c1ccc(F)cn1.
What is the InChIKey of 6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is HJHPHVZAKYVYGN-SECBINFHSA-N. The full InChI is InChI=1S/C17H13FN8O/c1-9(13-3-2-12(18)7-21-13)27-14-4-10(15-17(20)24-25-23-15)8-26-16(14)11(5-19)6-22-26/h2-4,6-9H,1H3,(H3,20,23,24,25)/t9-/m1/s1.
What are the key properties of 6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 364.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2H-triazol-4-yl)-4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 176816248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).