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

C28H30N8O2 — CID 163836056

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

2-amino-6-ethoxy-4-[6-[6-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 163836056) has the molecular formula C28H30N8O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-amino-6-ethoxy-4-[6-[6-[(6-methoxy-5-methyl-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: 2-amino-6-ethoxy-4-[6-[6-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 163836056
• Molecular Formula: C28H30N8O2
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.25
• IUPAC Name: 2-amino-6-ethoxy-4-[6-[6-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3CC4CC(C3)N4Cc3cnc(OC)c(C)c3)nc2)c2c(C#N)c(N)nn2c1
• InChI: InChI=1S/C28H30N8O2/c1-4-38-22-9-23(26-24(10-29)27(30)33-36(26)16-22)19-5-6-25(31-12-19)34-14-20-8-21(15-34)35(20)13-18-7-17(2)28(37-3)32-11-18/h5-7,9,11-12,16,20-21H,4,8,13-15H2,1-3H3,(H2,30,33)
• InChIKey: OHVNCQAFZGUVAT-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 117.83 Ų
• H-Bond Donors: 1
• 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	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-4-[6-[6-[(6-methoxy-5-methyl-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 2-amino-6-ethoxy-4-[6-[6-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 163836056) is 2-amino-6-ethoxy-4-[6-[6-[(6-methoxy-5-methyl-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 2-amino-6-ethoxy-4-[6-[6-[(6-methoxy-5-methyl-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 2-amino-6-ethoxy-4-[6-[6-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CC4CC(C3)N4Cc3cnc(OC)c(C)c3)nc2)c2c(C#N)c(N)nn2c1.

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

The InChIKey is OHVNCQAFZGUVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O2/c1-4-38-22-9-23(26-24(10-29)27(30)33-36(26)16-22)19-5-6-25(31-12-19)34-14-20-8-21(15-34)35(20)13-18-7-17(2)28(37-3)32-11-18/h5-7,9,11-12,16,20-21H,4,8,13-15H2,1-3H3,(H2,30,33).

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

2-amino-6-ethoxy-4-[6-[6-[(6-methoxy-5-methyl-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 510.60 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-ethoxy-4-[6-[6-[(6-methoxy-5-methyl-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 163836056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).