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

C23H26ClN7O3S — CID 169267300

IUPAC2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol
SMILESCc1c(-c2cc(OCC(O)c3ccsn3)c3c(Cl)cnn3c2)nnn1C1CCN(C2COC2)CC1
InChIInChI=1S/C23H26ClN7O3S/c1-14-22(26-28-31(14)16-2-5-29(6-3-16)17-11-33-12-17)15-8-21(23-18(24)9-25-30(23)10-15)34-13-20(32)19-4-7-35-27-19/h4,7-10,16-17,20,32H,2-3,5-6,11-13H2,1H3
InChIKeyFVBVSBIARDMSLU-UHFFFAOYSA-N
MW516.03 g/mol
LogP3.16
Rot. Bonds7

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

2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol (PubChem CID 169267300) has the molecular formula C23H26ClN7O3S and a molecular weight of 516.03 g/mol. Its IUPAC name is 2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol
PubChem CID169267300
Molecular FormulaC23H26ClN7O3S
Molecular Weight516.03 g/mol
Exact Mass515.15
IUPAC Name2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol
SMILESCc1c(-c2cc(OCC(O)c3ccsn3)c3c(Cl)cnn3c2)nnn1C1CCN(C2COC2)CC1
InChIInChI=1S/C23H26ClN7O3S/c1-14-22(26-28-31(14)16-2-5-29(6-3-16)17-11-33-12-17)15-8-21(23-18(24)9-25-30(23)10-15)34-13-20(32)19-4-7-35-27-19/h4,7-10,16-17,20,32H,2-3,5-6,11-13H2,1H3
InChIKeyFVBVSBIARDMSLU-UHFFFAOYSA-N
XLogP3.16
TPSA102.83 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.03
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol?
The IUPAC name of 2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol (CID 169267300) is 2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol.
What is the SMILES notation for 2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol?
The canonical SMILES for 2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol is Cc1c(-c2cc(OCC(O)c3ccsn3)c3c(Cl)cnn3c2)nnn1C1CCN(C2COC2)CC1.
What is the InChIKey of 2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol?
The InChIKey is FVBVSBIARDMSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O3S/c1-14-22(26-28-31(14)16-2-5-29(6-3-16)17-11-33-12-17)15-8-21(23-18(24)9-25-30(23)10-15)34-13-20(32)19-4-7-35-27-19/h4,7-10,16-17,20,32H,2-3,5-6,11-13H2,1H3.
What are the key properties of 2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol?
2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol has a molecular weight of 516.03 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(1,2-thiazol-3-yl)ethanol is sourced from PubChem (CID 169267300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).