2-amino-6-(2-methoxyethoxy)-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

C29H32N8O3 — CID 163620193

About 2-amino-6-(2-methoxyethoxy)-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-(2-methoxyethoxy)-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 163620193) has the molecular formula C29H32N8O3 and a molecular weight of 540.63 g/mol. Its IUPAC name is 2-amino-6-(2-methoxyethoxy)-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-(2-methoxyethoxy)-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: 163620193
• Molecular Formula: C29H32N8O3
• Molecular Weight: 540.63 g/mol
• Exact Mass: 540.26
• IUPAC Name: 2-amino-6-(2-methoxyethoxy)-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: COCCOc1cc(-c2ccc(N3CC4CC(C3)N4Cc3cnc(OC)c(C)c3)nc2)c2c(C#N)c(N)nn2c1
• InChI: InChI=1S/C29H32N8O3/c1-18-8-19(12-33-29(18)39-3)14-36-21-9-22(36)16-35(15-21)26-5-4-20(13-32-26)24-10-23(40-7-6-38-2)17-37-27(24)25(11-30)28(31)34-37/h4-5,8,10,12-13,17,21-22H,6-7,9,14-16H2,1-3H3,(H2,31,34)
• InChIKey: HNLKXVPBYYFZEJ-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 127.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.63
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methoxyethoxy)-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-(2-methoxyethoxy)-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 163620193) is 2-amino-6-(2-methoxyethoxy)-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-(2-methoxyethoxy)-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-(2-methoxyethoxy)-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 COCCOc1cc(-c2ccc(N3CC4CC(C3)N4Cc3cnc(OC)c(C)c3)nc2)c2c(C#N)c(N)nn2c1.

What is the InChIKey of 2-amino-6-(2-methoxyethoxy)-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 HNLKXVPBYYFZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O3/c1-18-8-19(12-33-29(18)39-3)14-36-21-9-22(36)16-35(15-21)26-5-4-20(13-32-26)24-10-23(40-7-6-38-2)17-37-27(24)25(11-30)28(31)34-37/h4-5,8,10,12-13,17,21-22H,6-7,9,14-16H2,1-3H3,(H2,31,34).

What are the key properties of 2-amino-6-(2-methoxyethoxy)-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-(2-methoxyethoxy)-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 540.63 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-(2-methoxyethoxy)-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 163620193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).