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

C30H32N6O3 — CID 146667746

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

1-[4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-3-(methyliminomethyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol (PubChem CID 146667746) has the molecular formula C30H32N6O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is 1-[4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-3-(methyliminomethyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-3-(methyliminomethyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
• PubChem CID: 146667746
• Molecular Formula: C30H32N6O3
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.25
• IUPAC Name: 1-[4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-3-(methyliminomethyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
• SMILES: C#Cc1ccc(OC2CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(/C=N/C)c45)cn3)CC2)cn1
• InChI: InChI=1S/C30H32N6O3/c1-5-23-7-8-25(18-32-23)39-24-10-12-35(13-11-24)28-9-6-21(16-33-28)27-14-26(38-20-30(2,3)37)19-36-29(27)22(15-31-4)17-34-36/h1,6-9,14-19,24,37H,10-13,20H2,2-4H3/b31-15+
• InChIKey: KLTURKMOXQVBSR-IBBHUPRXSA-N
• XLogP: 4.02
• TPSA: 97.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-3-(methyliminomethyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol (CID 146667746) is 1-[4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-3-(methyliminomethyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol.

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

The canonical SMILES for 1-[4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-3-(methyliminomethyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol is C#Cc1ccc(OC2CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(/C=N/C)c45)cn3)CC2)cn1.

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

The InChIKey is KLTURKMOXQVBSR-IBBHUPRXSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-5-23-7-8-25(18-32-23)39-24-10-12-35(13-11-24)28-9-6-21(16-33-28)27-14-26(38-20-30(2,3)37)19-36-29(27)22(15-31-4)17-34-36/h1,6-9,14-19,24,37H,10-13,20H2,2-4H3/b31-15+.

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

1-[4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-3-(methyliminomethyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol has a molecular weight of 524.63 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-3-(methyliminomethyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 146667746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).