4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C32H34N8O2 — CID 155576287

About 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155576287) has the molecular formula C32H34N8O2 and a molecular weight of 562.68 g/mol. Its IUPAC name is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 155576287
• Molecular Formula: C32H34N8O2
• Molecular Weight: 562.68 g/mol
• Exact Mass: 562.28
• IUPAC Name: 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC6(CCOCC6)C5)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C32H34N8O2/c1-41-30-5-2-22(13-35-30)16-39-26-10-27(39)18-37(17-26)29-4-3-23(14-34-29)28-11-25(19-40-31(28)24(12-33)15-36-40)38-20-32(21-38)6-8-42-9-7-32/h2-5,11,13-15,19,26-27H,6-10,16-18,20-21H2,1H3
• InChIKey: SRVSXWZCZVUDOU-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 95.05 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.68
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155576287) is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC6(CCOCC6)C5)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is SRVSXWZCZVUDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O2/c1-41-30-5-2-22(13-35-30)16-39-26-10-27(39)18-37(17-26)29-4-3-23(14-34-29)28-11-25(19-40-31(28)24(12-33)15-36-40)38-20-32(21-38)6-8-42-9-7-32/h2-5,11,13-15,19,26-27H,6-10,16-18,20-21H2,1H3.

What are the key properties of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 562.68 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155576287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).