6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide

C30H30BrN7O3 — CID 163363190

About 6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide

6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide (PubChem CID 163363190) has the molecular formula C30H30BrN7O3 and a molecular weight of 616.52 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide.

Molecular Properties

• Compound Name: 6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide
• PubChem CID: 163363190
• Molecular Formula: C30H30BrN7O3
• Molecular Weight: 616.52 g/mol
• Exact Mass: 615.16
• IUPAC Name: 6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide
• SMILES: Br.C#C[C@@](C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C30H29N7O3.BrH/c1-4-30(2,38)19-40-25-10-26(29-22(11-31)14-34-37(29)18-25)21-6-7-27(32-13-21)35-16-23-9-24(17-35)36(23)15-20-5-8-28(39-3)33-12-20;/h1,5-8,10,12-14,18,23-24,38H,9,15-17,19H2,2-3H3;1H/t23?,24?,30-;/m1./s1
• InChIKey: WCVXYPROLDWUKR-AYFOWOTFSA-N
• XLogP: 3.48
• TPSA: 112.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.52
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide?

The IUPAC name of 6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide (CID 163363190) is 6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide.

What is the SMILES notation for 6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide?

The canonical SMILES for 6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide is Br.C#C[C@@](C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide?

The InChIKey is WCVXYPROLDWUKR-AYFOWOTFSA-N. The full InChI is InChI=1S/C30H29N7O3.BrH/c1-4-30(2,38)19-40-25-10-26(29-22(11-31)14-34-37(29)18-25)21-6-7-27(32-13-21)35-16-23-9-24(17-35)36(23)15-20-5-8-28(39-3)33-12-20;/h1,5-8,10,12-14,18,23-24,38H,9,15-17,19H2,2-3H3;1H/t23?,24?,30-;/m1./s1.

What are the key properties of 6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide?

6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide has a molecular weight of 616.52 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrobromide is sourced from PubChem (CID 163363190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).