4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile

C55H47Br2N13 — CID 161072403

About 4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile

4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile (PubChem CID 161072403) has the molecular formula C55H47Br2N13 and a molecular weight of 1049.88 g/mol. Its IUPAC name is 4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile.

Molecular Properties

• Compound Name: 4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile
• PubChem CID: 161072403
• Molecular Formula: C55H47Br2N13
• Molecular Weight: 1049.88 g/mol
• Exact Mass: 1047.24
• IUPAC Name: 4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile
• SMILES: Brc1cccn2nccc12.Cn1cc(C#Cc2cnn3cccc(C4=CCC(C#N)CC4)c23)cn1.N#CC1CC=C(c2cccn3ncc(Br)c23)CC1.N#CC1CC=C(c2cccn3nccc23)CC1
• InChI: InChI=1S/C20H17N5.C14H12BrN3.C14H13N3.C7H5BrN2/c1-24-14-16(12-22-24)6-9-18-13-23-25-10-2-3-19(20(18)25)17-7-4-15(11-21)5-8-17;15-13-9-17-18-7-1-2-12(14(13)18)11-5-3-10(8-16)4-6-11;15-10-11-3-5-12(6-4-11)13-2-1-9-17-14(13)7-8-16-17;8-6-2-1-5-10-7(6)3-4-9-10/h2-3,7,10,12-15H,4-5,8H2,1H3;1-2,5,7,9-10H,3-4,6H2;1-2,5,7-9,11H,3-4,6H2;1-5H
• InChIKey: UEVFTIJWAMCDKF-UHFFFAOYSA-N
• XLogP: 12.12
• TPSA: 158.39 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 3
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1049.88
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile?

The IUPAC name of 4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile (CID 161072403) is 4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile.

What is the SMILES notation for 4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile?

The canonical SMILES for 4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile is Brc1cccn2nccc12.Cn1cc(C#Cc2cnn3cccc(C4=CCC(C#N)CC4)c23)cn1.N#CC1CC=C(c2cccn3ncc(Br)c23)CC1.N#CC1CC=C(c2cccn3nccc23)CC1.

What is the InChIKey of 4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile?

The InChIKey is UEVFTIJWAMCDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5.C14H12BrN3.C14H13N3.C7H5BrN2/c1-24-14-16(12-22-24)6-9-18-13-23-25-10-2-3-19(20(18)25)17-7-4-15(11-21)5-8-17;15-13-9-17-18-7-1-2-12(14(13)18)11-5-3-10(8-16)4-6-11;15-10-11-3-5-12(6-4-11)13-2-1-9-17-14(13)7-8-16-17;8-6-2-1-5-10-7(6)3-4-9-10/h2-3,7,10,12-15H,4-5,8H2,1H3;1-2,5,7,9-10H,3-4,6H2;1-2,5,7-9,11H,3-4,6H2;1-5H.

What are the key properties of 4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile?

4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile has a molecular weight of 1049.88 g/mol, XLogP of 12.12, 3 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 161072403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).