4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C32H32FN7O3 — CID 155296202

About 4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155296202) has the molecular formula C32H32FN7O3 and a molecular weight of 581.65 g/mol. Its IUPAC name is 4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 155296202
• Molecular Formula: C32H32FN7O3
• Molecular Weight: 581.65 g/mol
• Exact Mass: 581.26
• IUPAC Name: 4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ncc(CN2C3CC2CN(c2ccc(-c4cc(OCC56CC(CO)(C5)C6)cn5ncc(C#N)c45)cn2)C3)cc1F
• InChI: InChI=1S/C32H32FN7O3/c1-42-30-27(33)4-20(8-36-30)11-39-23-5-24(39)13-38(12-23)28-3-2-21(9-35-28)26-6-25(14-40-29(26)22(7-34)10-37-40)43-19-32-15-31(16-32,17-32)18-41/h2-4,6,8-10,14,23-24,41H,5,11-13,15-19H2,1H3
• InChIKey: VRYIMBMYWRNXAR-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 112.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.65
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155296202) is 4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ncc(CN2C3CC2CN(c2ccc(-c4cc(OCC56CC(CO)(C5)C6)cn5ncc(C#N)c45)cn2)C3)cc1F.

What is the InChIKey of 4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is VRYIMBMYWRNXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN7O3/c1-42-30-27(33)4-20(8-36-30)11-39-23-5-24(39)13-38(12-23)28-3-2-21(9-35-28)26-6-25(14-40-29(26)22(7-34)10-37-40)43-19-32-15-31(16-32,17-32)18-41/h2-4,6,8-10,14,23-24,41H,5,11-13,15-19H2,1H3.

What are the key properties of 4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 581.65 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155296202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).