4-[6-[6-[2-(5-fluoro-2-pyridinyl)acetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H24FN9O — CID 126740421

About 4-[6-[6-[2-(5-fluoro-2-pyridinyl)acetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[6-[2-(5-fluoro-2-pyridinyl)acetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740421) has the molecular formula C29H24FN9O and a molecular weight of 533.57 g/mol. Its IUPAC name is 4-[6-[6-[2-(5-fluoro-2-pyridinyl)acetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[6-[2-(5-fluoro-2-pyridinyl)acetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 126740421
• Molecular Formula: C29H24FN9O
• Molecular Weight: 533.57 g/mol
• Exact Mass: 533.21
• IUPAC Name: 4-[6-[6-[2-(5-fluoro-2-pyridinyl)acetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CC5CC(C4)N5C(=O)Cc4ccc(F)cn4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C29H24FN9O/c1-36-14-21(12-34-36)19-6-26(29-20(9-31)11-35-38(29)15-19)18-2-5-27(33-10-18)37-16-24-8-25(17-37)39(24)28(40)7-23-4-3-22(30)13-32-23/h2-6,10-15,24-25H,7-8,16-17H2,1H3
• InChIKey: HCMIIWQVUPPTHL-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 108.24 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.57
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-[6-[6-[2-(5-fluoro-2-pyridinyl)acetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740421) is 4-[6-[6-[2-(5-fluoro-2-pyridinyl)acetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-[6-[6-[2-(5-fluoro-2-pyridinyl)acetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CC5CC(C4)N5C(=O)Cc4ccc(F)cn4)nc3)c3c(C#N)cnn3c2)cn1.

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

The InChIKey is HCMIIWQVUPPTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN9O/c1-36-14-21(12-34-36)19-6-26(29-20(9-31)11-35-38(29)15-19)18-2-5-27(33-10-18)37-16-24-8-25(17-37)39(24)28(40)7-23-4-3-22(30)13-32-23/h2-6,10-15,24-25H,7-8,16-17H2,1H3.

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

4-[6-[6-[2-(5-fluoro-2-pyridinyl)acetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 533.57 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[6-[2-(5-fluoro-2-pyridinyl)acetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).