4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H30N8O2S — CID 169267546

About 4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 169267546) has the molecular formula C26H30N8O2S and a molecular weight of 518.65 g/mol. Its IUPAC name is 4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 169267546
• Molecular Formula: C26H30N8O2S
• Molecular Weight: 518.65 g/mol
• Exact Mass: 518.22
• IUPAC Name: 4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1nc([C@@H](C)Oc2cc(-c3nnn(C4CCN(C5COC5)CC4)c3C)cn3ncc(C#N)c23)c(C)s1
• InChI: InChI=1S/C26H30N8O2S/c1-15-24(30-31-34(15)21-5-7-32(8-6-21)22-13-35-14-22)19-9-23(26-20(10-27)11-28-33(26)12-19)36-16(2)25-17(3)37-18(4)29-25/h9,11-12,16,21-22H,5-8,13-14H2,1-4H3/t16-/m1/s1
• InChIKey: ALXOVPRQDKYFMH-MRXNPFEDSA-N
• XLogP: 4.02
• TPSA: 106.39 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.65
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-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-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 169267546) is 4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-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-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-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-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1nc([C@@H](C)Oc2cc(-c3nnn(C4CCN(C5COC5)CC4)c3C)cn3ncc(C#N)c23)c(C)s1.

What is the InChIKey of 4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is ALXOVPRQDKYFMH-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H30N8O2S/c1-15-24(30-31-34(15)21-5-7-32(8-6-21)22-13-35-14-22)19-9-23(26-20(10-27)11-28-33(26)12-19)36-16(2)25-17(3)37-18(4)29-25/h9,11-12,16,21-22H,5-8,13-14H2,1-4H3/t16-/m1/s1.

What are the key properties of 4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-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 518.65 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-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 169267546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).