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

C26H27FN8O3 — CID 169267331

IUPAC4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(OC[C@@H](O)c3ccc(F)cn3)c3c(C#N)cnn3c2)nnn1C1CCN(C2COC2)CC1
InChIInChI=1S/C26H27FN8O3/c1-16-25(31-32-35(16)20-4-6-33(7-5-20)21-13-37-14-21)17-8-24(26-18(9-28)10-30-34(26)12-17)38-15-23(36)22-3-2-19(27)11-29-22/h2-3,8,10-12,20-21,23,36H,4-7,13-15H2,1H3/t23-/m1/s1
InChIKeyVSWKNCWALDRECX-HSZRJFAPSA-N
MW518.55 g/mol
LogP2.46
Rot. Bonds7

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

4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 169267331) has the molecular formula C26H27FN8O3 and a molecular weight of 518.55 g/mol. Its IUPAC name is 4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID169267331
Molecular FormulaC26H27FN8O3
Molecular Weight518.55 g/mol
Exact Mass518.22
IUPAC Name4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(OC[C@@H](O)c3ccc(F)cn3)c3c(C#N)cnn3c2)nnn1C1CCN(C2COC2)CC1
InChIInChI=1S/C26H27FN8O3/c1-16-25(31-32-35(16)20-4-6-33(7-5-20)21-13-37-14-21)17-8-24(26-18(9-28)10-30-34(26)12-17)38-15-23(36)22-3-2-19(27)11-29-22/h2-3,8,10-12,20-21,23,36H,4-7,13-15H2,1H3/t23-/m1/s1
InChIKeyVSWKNCWALDRECX-HSZRJFAPSA-N
XLogP2.46
TPSA126.62 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.55
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile 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 4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 169267331) is 4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(OC[C@@H](O)c3ccc(F)cn3)c3c(C#N)cnn3c2)nnn1C1CCN(C2COC2)CC1.
What is the InChIKey of 4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VSWKNCWALDRECX-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27FN8O3/c1-16-25(31-32-35(16)20-4-6-33(7-5-20)21-13-37-14-21)17-8-24(26-18(9-28)10-30-34(26)12-17)38-15-23(36)22-3-2-19(27)11-29-22/h2-3,8,10-12,20-21,23,36H,4-7,13-15H2,1H3/t23-/m1/s1.
What are the key properties of 4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 518.55 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 169267331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).