4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C19H15BrN6 — CID 135583853

About 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135583853) has the molecular formula C19H15BrN6 and a molecular weight of 407.28 g/mol. Its IUPAC name is 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
• PubChem CID: 135583853
• Molecular Formula: C19H15BrN6
• Molecular Weight: 407.28 g/mol
• Exact Mass: 406.05
• IUPAC Name: 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
• SMILES: N#CC1=C(C2=CNCCC2)Nc2[nH]ncc2C1c1cccc(C#N)c1Br
• InChI: InChI=1S/C19H15BrN6/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/h1,3,5,9-10,16,23H,2,4,6H2,(H2,24,25,26)
• InChIKey: CZACDKSSZKMGSK-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 100.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.28
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?

The IUPAC name of 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135583853) is 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

What is the SMILES notation for 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?

The canonical SMILES for 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1=C(C2=CNCCC2)Nc2[nH]ncc2C1c1cccc(C#N)c1Br.

What is the InChIKey of 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?

The InChIKey is CZACDKSSZKMGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN6/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/h1,3,5,9-10,16,23H,2,4,6H2,(H2,24,25,26).

What are the key properties of 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?

4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 407.28 g/mol, XLogP of 3.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).