6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C31H30N8O3 — CID 170412964

About 6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 170412964) has the molecular formula C31H30N8O3 and a molecular weight of 562.63 g/mol. Its IUPAC name is 6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 170412964
• Molecular Formula: C31H30N8O3
• Molecular Weight: 562.63 g/mol
• Exact Mass: 562.24
• IUPAC Name: 6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5ncc(C(C)(C)O)o5)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C31H30N8O3/c1-31(2,40)26-14-35-30(42-26)21-8-25(29-22(10-32)13-36-39(29)16-21)20-5-6-27(33-12-20)37-17-23-9-24(18-37)38(23)15-19-4-7-28(41-3)34-11-19/h4-8,11-14,16,23-24,40H,9,15,17-18H2,1-3H3
• InChIKey: NLHWNBRSUGVNKL-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 128.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.63
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 170412964) is 6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5ncc(C(C)(C)O)o5)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is NLHWNBRSUGVNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N8O3/c1-31(2,40)26-14-35-30(42-26)21-8-25(29-22(10-32)13-36-39(29)16-21)20-5-6-27(33-12-20)37-17-23-9-24(18-37)38(23)15-19-4-7-28(41-3)34-11-19/h4-8,11-14,16,23-24,40H,9,15,17-18H2,1-3H3.

What are the key properties of 6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 562.63 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 170412964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).