1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol

C26H28ClN5O3 — CID 134436449

About 1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol

1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol (PubChem CID 134436449) has the molecular formula C26H28ClN5O3 and a molecular weight of 494.00 g/mol. Its IUPAC name is 1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
• PubChem CID: 134436449
• Molecular Formula: C26H28ClN5O3
• Molecular Weight: 494.00 g/mol
• Exact Mass: 493.19
• IUPAC Name: 1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
• SMILES: CC(C)(O)COc1cc(-c2ccc(N3CCC(Oc4ccccn4)CC3)nc2)c2c(Cl)cnn2c1
• InChI: InChI=1S/C26H28ClN5O3/c1-26(2,33)17-34-20-13-21(25-22(27)15-30-32(25)16-20)18-6-7-23(29-14-18)31-11-8-19(9-12-31)35-24-5-3-4-10-28-24/h3-7,10,13-16,19,33H,8-9,11-12,17H2,1-2H3
• InChIKey: OSDAZEXEOMUHSV-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 85.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.00
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol?

The IUPAC name of 1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol (CID 134436449) is 1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol.

What is the SMILES notation for 1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol?

The canonical SMILES for 1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol is CC(C)(O)COc1cc(-c2ccc(N3CCC(Oc4ccccn4)CC3)nc2)c2c(Cl)cnn2c1.

What is the InChIKey of 1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol?

The InChIKey is OSDAZEXEOMUHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O3/c1-26(2,33)17-34-20-13-21(25-22(27)15-30-32(25)16-20)18-6-7-23(29-14-18)31-11-8-19(9-12-31)35-24-5-3-4-10-28-24/h3-7,10,13-16,19,33H,8-9,11-12,17H2,1-2H3.

What are the key properties of 1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol?

1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol has a molecular weight of 494.00 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 134436449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).