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

C27H31ClFN7O3 — CID 169267286

IUPAC1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(O)(COc1cc(-c2nnn(C3CCN(C4COC4)CC3)c2C)cn2ncc(Cl)c12)c1ccc(F)cn1
InChIInChI=1S/C27H31ClFN7O3/c1-3-27(37,24-5-4-19(29)11-30-24)16-39-23-10-18(13-35-26(23)22(28)12-31-35)25-17(2)36(33-32-25)20-6-8-34(9-7-20)21-14-38-15-21/h4-5,10-13,20-21,37H,3,6-9,14-16H2,1-2H3
InChIKeyWZEMWXHEBUYFMY-UHFFFAOYSA-N
MW556.04 g/mol
LogP3.80
Rot. Bonds8

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

1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol (PubChem CID 169267286) has the molecular formula C27H31ClFN7O3 and a molecular weight of 556.04 g/mol. Its IUPAC name is 1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol
PubChem CID169267286
Molecular FormulaC27H31ClFN7O3
Molecular Weight556.04 g/mol
Exact Mass555.22
IUPAC Name1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(O)(COc1cc(-c2nnn(C3CCN(C4COC4)CC3)c2C)cn2ncc(Cl)c12)c1ccc(F)cn1
InChIInChI=1S/C27H31ClFN7O3/c1-3-27(37,24-5-4-19(29)11-30-24)16-39-23-10-18(13-35-26(23)22(28)12-31-35)25-17(2)36(33-32-25)20-6-8-34(9-7-20)21-14-38-15-21/h4-5,10-13,20-21,37H,3,6-9,14-16H2,1-2H3
InChIKeyWZEMWXHEBUYFMY-UHFFFAOYSA-N
XLogP3.80
TPSA102.83 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.04
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The IUPAC name of 1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol (CID 169267286) is 1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The canonical SMILES for 1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol is CCC(O)(COc1cc(-c2nnn(C3CCN(C4COC4)CC3)c2C)cn2ncc(Cl)c12)c1ccc(F)cn1.
What is the InChIKey of 1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The InChIKey is WZEMWXHEBUYFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClFN7O3/c1-3-27(37,24-5-4-19(29)11-30-24)16-39-23-10-18(13-35-26(23)22(28)12-31-35)25-17(2)36(33-32-25)20-6-8-34(9-7-20)21-14-38-15-21/h4-5,10-13,20-21,37H,3,6-9,14-16H2,1-2H3.
What are the key properties of 1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol?
1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol has a molecular weight of 556.04 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 169267286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).