6-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H26N8O2 — CID 153317960

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

6-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 153317960) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-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-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 153317960
• Molecular Formula: C26H26N8O2
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.22
• IUPAC Name: 6-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3CC4C[C@@H](C3)C4Nc3cnc(OC)cn3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C26H26N8O2/c1-3-36-20-7-21(26-19(8-27)10-31-34(26)15-20)16-4-5-23(29-9-16)33-13-17-6-18(14-33)25(17)32-22-11-30-24(35-2)12-28-22/h4-5,7,9-12,15,17-18,25H,3,6,13-14H2,1-2H3,(H,28,32)/t17-,18?,25?/m0/s1
• InChIKey: YWIJQULJWWCGJO-PKGUJWKASA-N
• XLogP: 3.40
• TPSA: 113.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-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-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 153317960) is 6-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-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-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-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-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CC4C[C@@H](C3)C4Nc3cnc(OC)cn3)nc2)c2c(C#N)cnn2c1.

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

The InChIKey is YWIJQULJWWCGJO-PKGUJWKASA-N. The full InChI is InChI=1S/C26H26N8O2/c1-3-36-20-7-21(26-19(8-27)10-31-34(26)15-20)16-4-5-23(29-9-16)33-13-17-6-18(14-33)25(17)32-22-11-30-24(35-2)12-28-22/h4-5,7,9-12,15,17-18,25H,3,6,13-14H2,1-2H3,(H,28,32)/t17-,18?,25?/m0/s1.

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

6-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-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 482.55 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-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 153317960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).