4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine

C27H32FN7O2 — CID 169267439

IUPAC4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine
SMILESCc1cnn2cc(-c3nnn(C4CCN(C5COC5)CC4)c3C)cc(OCC(C)c3ccc(F)cn3)c12
InChIInChI=1S/C27H32FN7O2/c1-17-11-30-34-13-20(10-25(27(17)34)37-14-18(2)24-5-4-21(28)12-29-24)26-19(3)35(32-31-26)22-6-8-33(9-7-22)23-15-36-16-23/h4-5,10-13,18,22-23H,6-9,14-16H2,1-3H3
InChIKeyAMFLXDYDGSGLIH-UHFFFAOYSA-N
MW505.60 g/mol
LogP3.96
Rot. Bonds7

About 4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine

4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine (PubChem CID 169267439) has the molecular formula C27H32FN7O2 and a molecular weight of 505.60 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine
PubChem CID169267439
Molecular FormulaC27H32FN7O2
Molecular Weight505.60 g/mol
Exact Mass505.26
IUPAC Name4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine
SMILESCc1cnn2cc(-c3nnn(C4CCN(C5COC5)CC4)c3C)cc(OCC(C)c3ccc(F)cn3)c12
InChIInChI=1S/C27H32FN7O2/c1-17-11-30-34-13-20(10-25(27(17)34)37-14-18(2)24-5-4-21(28)12-29-24)26-19(3)35(32-31-26)22-6-8-33(9-7-22)23-15-36-16-23/h4-5,10-13,18,22-23H,6-9,14-16H2,1-3H3
InChIKeyAMFLXDYDGSGLIH-UHFFFAOYSA-N
XLogP3.96
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine (CID 169267439) is 4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine is Cc1cnn2cc(-c3nnn(C4CCN(C5COC5)CC4)c3C)cc(OCC(C)c3ccc(F)cn3)c12.
What is the InChIKey of 4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine?
The InChIKey is AMFLXDYDGSGLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O2/c1-17-11-30-34-13-20(10-25(27(17)34)37-14-18(2)24-5-4-21(28)12-29-24)26-19(3)35(32-31-26)22-6-8-33(9-7-22)23-15-36-16-23/h4-5,10-13,18,22-23H,6-9,14-16H2,1-3H3.
What are the key properties of 4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine?
4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 505.60 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2-pyridinyl)propoxy]-3-methyl-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 169267439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).