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

C30H24FN9 — CID 146661071

About 4-[6-[6-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-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-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-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 146661071) has the molecular formula C30H24FN9 and a molecular weight of 529.58 g/mol. Its IUPAC name is 4-[6-[6-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-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-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-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: 146661071
• Molecular Formula: C30H24FN9
• Molecular Weight: 529.58 g/mol
• Exact Mass: 529.21
• IUPAC Name: 4-[6-[6-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-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)N5CC#Cc4ncccc4F)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C30H24FN9/c1-37-16-23(15-35-37)21-10-26(30-22(12-32)14-36-40(30)17-21)20-6-7-29(34-13-20)38-18-24-11-25(19-38)39(24)9-3-5-28-27(31)4-2-8-33-28/h2,4,6-8,10,13-17,24-25H,9,11,18-19H2,1H3
• InChIKey: KDRZOQFWHQCDSB-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 91.17 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.58
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-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-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146661071) is 4-[6-[6-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-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-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-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-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-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)N5CC#Cc4ncccc4F)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of 4-[6-[6-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-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 KDRZOQFWHQCDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN9/c1-37-16-23(15-35-37)21-10-26(30-22(12-32)14-36-40(30)17-21)20-6-7-29(34-13-20)38-18-24-11-25(19-38)39(24)9-3-5-28-27(31)4-2-8-33-28/h2,4,6-8,10,13-17,24-25H,9,11,18-19H2,1H3.

What are the key properties of 4-[6-[6-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-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-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-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 529.58 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[6-[3-(3-fluoro-2-pyridinyl)prop-2-ynyl]-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 146661071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).