2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone

C33H38N6O4 — CID 167616745

About 2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone

2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone (PubChem CID 167616745) has the molecular formula C33H38N6O4 and a molecular weight of 582.71 g/mol. Its IUPAC name is 2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
• PubChem CID: 167616745
• Molecular Formula: C33H38N6O4
• Molecular Weight: 582.71 g/mol
• Exact Mass: 582.30
• IUPAC Name: 2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C(=O)CC6CC6)c45)cn2)C3)cn1
• InChI: InChI=1S/C33H38N6O4/c1-33(2,41)20-43-26-12-27(32-28(15-36-39(32)19-26)29(40)10-21-4-5-21)23-7-8-30(34-14-23)37-17-24-11-25(18-37)38(24)16-22-6-9-31(42-3)35-13-22/h6-9,12-15,19,21,24-25,41H,4-5,10-11,16-18,20H2,1-3H3
• InChIKey: LVTXKERCPBAYRA-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 105.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.71
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?

The IUPAC name of 2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone (CID 167616745) is 2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone.

What is the SMILES notation for 2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?

The canonical SMILES for 2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C(=O)CC6CC6)c45)cn2)C3)cn1.

What is the InChIKey of 2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?

The InChIKey is LVTXKERCPBAYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N6O4/c1-33(2,41)20-43-26-12-27(32-28(15-36-39(32)19-26)29(40)10-21-4-5-21)23-7-8-30(34-14-23)37-17-24-11-25(18-37)38(24)16-22-6-9-31(42-3)35-13-22/h6-9,12-15,19,21,24-25,41H,4-5,10-11,16-18,20H2,1-3H3.

What are the key properties of 2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?

2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone has a molecular weight of 582.71 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 167616745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).