2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol

C25H27BrFN7O3 — CID 176863988

IUPAC2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCc1c(-c2cc(OCC(O)c3ccc(F)cn3)c3c(Br)cnn3c2)nnn1C1CCN(C2COC2)CC1
InChIInChI=1S/C25H27BrFN7O3/c1-15-24(30-31-34(15)18-4-6-32(7-5-18)19-12-36-13-19)16-8-23(25-20(26)10-29-33(25)11-16)37-14-22(35)21-3-2-17(27)9-28-21/h2-3,8-11,18-19,22,35H,4-7,12-14H2,1H3
InChIKeySTTVXGRFSNVETC-UHFFFAOYSA-N
MW572.44 g/mol
LogP3.35
Rot. Bonds7

About 2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol

2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 176863988) has the molecular formula C25H27BrFN7O3 and a molecular weight of 572.44 g/mol. Its IUPAC name is 2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID176863988
Molecular FormulaC25H27BrFN7O3
Molecular Weight572.44 g/mol
Exact Mass571.13
IUPAC Name2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCc1c(-c2cc(OCC(O)c3ccc(F)cn3)c3c(Br)cnn3c2)nnn1C1CCN(C2COC2)CC1
InChIInChI=1S/C25H27BrFN7O3/c1-15-24(30-31-34(15)18-4-6-32(7-5-18)19-12-36-13-19)16-8-23(25-20(26)10-29-33(25)11-16)37-14-22(35)21-3-2-17(27)9-28-21/h2-3,8-11,18-19,22,35H,4-7,12-14H2,1H3
InChIKeySTTVXGRFSNVETC-UHFFFAOYSA-N
XLogP3.35
TPSA102.83 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol (CID 176863988) is 2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol is Cc1c(-c2cc(OCC(O)c3ccc(F)cn3)c3c(Br)cnn3c2)nnn1C1CCN(C2COC2)CC1.
What is the InChIKey of 2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is STTVXGRFSNVETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrFN7O3/c1-15-24(30-31-34(15)18-4-6-32(7-5-18)19-12-36-13-19)16-8-23(25-20(26)10-29-33(25)11-16)37-14-22(35)21-3-2-17(27)9-28-21/h2-3,8-11,18-19,22,35H,4-7,12-14H2,1H3.
What are the key properties of 2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol?
2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 572.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 176863988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).