6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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

C33H33N9O — CID 170412849

About 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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 170412849) has the molecular formula C33H33N9O and a molecular weight of 571.69 g/mol. Its IUPAC name is 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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: 170412849
• Molecular Formula: C33H33N9O
• Molecular Weight: 571.69 g/mol
• Exact Mass: 571.28
• IUPAC Name: 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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(-c5ccc(C(C)(C)N)nc5)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C33H33N9O/c1-33(2,35)29-7-5-22(14-36-29)24-10-28(32-25(12-34)16-39-42(32)18-24)23-6-8-30(37-15-23)40-19-26-11-27(20-40)41(26)17-21-4-9-31(43-3)38-13-21/h4-10,13-16,18,26-27H,11,17,19-20,35H2,1-3H3
• InChIKey: JYTUKMASWPFZHT-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 121.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.69
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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 170412849) is 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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(-c5ccc(C(C)(C)N)nc5)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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 JYTUKMASWPFZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N9O/c1-33(2,35)29-7-5-22(14-36-29)24-10-28(32-25(12-34)16-39-42(32)18-24)23-6-8-30(37-15-23)40-19-26-11-27(20-40)41(26)17-21-4-9-31(43-3)38-13-21/h4-10,13-16,18,26-27H,11,17,19-20,35H2,1-3H3.

What are the key properties of 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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 571.69 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-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 170412849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).