6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H30N8O2 — CID 134553357

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134553357) has the molecular formula C28H30N8O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134553357
• Molecular Formula: C28H30N8O2
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.25
• IUPAC Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1cnc(NC2[C@@H]3C[C@H]2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C28H30N8O2/c1-17-9-31-24(12-30-17)34-26-19-6-20(26)14-35(13-19)25-5-4-18(10-32-25)23-7-22(38-16-28(2,3)37)15-36-27(23)21(8-29)11-33-36/h4-5,7,9-12,15,19-20,26,37H,6,13-14,16H2,1-3H3,(H,31,34)/t19-,20+,26?
• InChIKey: VWLQNLVPELNLGH-NJEHHLDASA-N
• XLogP: 3.45
• TPSA: 124.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134553357) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1cnc(NC2[C@@H]3C[C@H]2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is VWLQNLVPELNLGH-NJEHHLDASA-N. The full InChI is InChI=1S/C28H30N8O2/c1-17-9-31-24(12-30-17)34-26-19-6-20(26)14-35(13-19)25-5-4-18(10-32-25)23-7-22(38-16-28(2,3)37)15-36-27(23)21(8-29)11-33-36/h4-5,7,9-12,15,19-20,26,37H,6,13-14,16H2,1-3H3,(H,31,34)/t19-,20+,26?.

What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 510.60 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134553357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).