4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C19H17BrN6 — CID 91082622

About 4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 91082622) has the molecular formula C19H17BrN6 and a molecular weight of 409.29 g/mol. Its IUPAC name is 4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
• PubChem CID: 91082622
• Molecular Formula: C19H17BrN6
• Molecular Weight: 409.29 g/mol
• Exact Mass: 408.07
• IUPAC Name: 4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
• SMILES: N#Cc1cccc(C2c3cn[nH]c3N=C(C3CCCNC3)C2C#N)c1Br
• InChI: InChI=1S/C19H17BrN6/c20-17-11(7-21)3-1-5-13(17)16-14(8-22)18(12-4-2-6-23-9-12)25-19-15(16)10-24-26-19/h1,3,5,10,12,14,16,23H,2,4,6,9H2,(H,24,26)
• InChIKey: VOZCBTOGQAFSGM-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 100.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.29
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?

The IUPAC name of 4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 91082622) is 4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

What is the SMILES notation for 4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?

The canonical SMILES for 4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#Cc1cccc(C2c3cn[nH]c3N=C(C3CCCNC3)C2C#N)c1Br.

What is the InChIKey of 4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?

The InChIKey is VOZCBTOGQAFSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN6/c20-17-11(7-21)3-1-5-13(17)16-14(8-22)18(12-4-2-6-23-9-12)25-19-15(16)10-24-26-19/h1,3,5,10,12,14,16,23H,2,4,6,9H2,(H,24,26).

What are the key properties of 4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?

4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 409.29 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 91082622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).