4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

C27H26ClFN8O — CID 175872816

About 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (PubChem CID 175872816) has the molecular formula C27H26ClFN8O and a molecular weight of 533.01 g/mol. Its IUPAC name is 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

• Compound Name: 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
• PubChem CID: 175872816
• Molecular Formula: C27H26ClFN8O
• Molecular Weight: 533.01 g/mol
• Exact Mass: 532.19
• IUPAC Name: 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
• SMILES: Cc1c(-c2cc(OC(C)c3cncc4cc(F)ccc34)c3c(C#N)cnn3c2)nnn1C1CCNCC1.Cl
• InChI: InChI=1S/C27H25FN8O.ClH/c1-16-26(33-34-36(16)22-5-7-30-8-6-22)19-10-25(27-20(11-29)13-32-35(27)15-19)37-17(2)24-14-31-12-18-9-21(28)3-4-23(18)24;/h3-4,9-10,12-15,17,22,30H,5-8H2,1-2H3;1H
• InChIKey: ILAFOLQYSBKADT-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 105.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.01
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

The IUPAC name of 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (CID 175872816) is 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.

What is the SMILES notation for 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

The canonical SMILES for 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is Cc1c(-c2cc(OC(C)c3cncc4cc(F)ccc34)c3c(C#N)cnn3c2)nnn1C1CCNCC1.Cl.

What is the InChIKey of 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

The InChIKey is ILAFOLQYSBKADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN8O.ClH/c1-16-26(33-34-36(16)22-5-7-30-8-6-22)19-10-25(27-20(11-29)13-32-35(27)15-19)37-17(2)24-14-31-12-18-9-21(28)3-4-23(18)24;/h3-4,9-10,12-15,17,22,30H,5-8H2,1-2H3;1H.

What are the key properties of 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride has a molecular weight of 533.01 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 175872816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).