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

C29H30FN9O — CID 166966848

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

6-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 166966848) has the molecular formula C29H30FN9O and a molecular weight of 539.62 g/mol. Its IUPAC name is 6-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 166966848
• Molecular Formula: C29H30FN9O
• Molecular Weight: 539.62 g/mol
• Exact Mass: 539.26
• IUPAC Name: 6-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCC(C)(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C29H30FN9O/c1-29(30)5-6-36(18-29)21-8-24(28-20(9-31)11-35-39(28)17-21)25-12-33-26(13-32-25)37-15-22-7-23(16-37)38(22)14-19-3-4-27(40-2)34-10-19/h3-4,8,10-13,17,22-23H,5-7,14-16,18H2,1-2H3
• InChIKey: QIEIJMORHAXVGD-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 98.71 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.62
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 166966848) is 6-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCC(C)(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.

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

The InChIKey is QIEIJMORHAXVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN9O/c1-29(30)5-6-36(18-29)21-8-24(28-20(9-31)11-35-39(28)17-21)25-12-33-26(13-32-25)37-15-22-7-23(16-37)38(22)14-19-3-4-27(40-2)34-10-19/h3-4,8,10-13,17,22-23H,5-7,14-16,18H2,1-2H3.

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

6-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 539.62 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-fluoro-3-methylpyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 166966848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).