6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H29N7O2 — CID 134435513

About 6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435513) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134435513
• Molecular Formula: C28H29N7O2
• Molecular Weight: 495.59 g/mol
• Exact Mass: 495.24
• IUPAC Name: 6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3C4CCC3CN(Cc3ccc(OC)nc3)C4)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C28H29N7O2/c1-3-37-24-10-25(28-21(11-29)14-32-34(28)18-24)20-5-8-26(30-13-20)35-22-6-7-23(35)17-33(16-22)15-19-4-9-27(36-2)31-12-19/h4-5,8-10,12-14,18,22-23H,3,6-7,15-17H2,1-2H3
• InChIKey: RXACTSUIHPVFQP-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 91.81 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.59
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435513) is 6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3C4CCC3CN(Cc3ccc(OC)nc3)C4)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is RXACTSUIHPVFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-3-37-24-10-25(28-21(11-29)14-32-34(28)18-24)20-5-8-26(30-13-20)35-22-6-7-23(35)17-33(16-22)15-19-4-9-27(36-2)31-12-19/h4-5,8-10,12-14,18,22-23H,3,6-7,15-17H2,1-2H3.

What are the key properties of 6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 495.59 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-4-[6-[3-[(6-methoxy-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).