4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H28F3N9O2 — CID 164921081

About 4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164921081) has the molecular formula C27H28F3N9O2 and a molecular weight of 567.58 g/mol. Its IUPAC name is 4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164921081
• Molecular Formula: C27H28F3N9O2
• Molecular Weight: 567.58 g/mol
• Exact Mass: 567.23
• IUPAC Name: 4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1c(-c2cc(OC(C)c3cc(C(F)(F)F)cnc3N3CC(O)C3)c3c(C#N)cnn3c2)nnn1C1CCNCC1
• InChI: InChI=1S/C27H28F3N9O2/c1-15-24(35-36-39(15)20-3-5-32-6-4-20)17-7-23(25-18(9-31)10-34-38(25)12-17)41-16(2)22-8-19(27(28,29)30)11-33-26(22)37-13-21(40)14-37/h7-8,10-12,16,20-21,32,40H,3-6,13-14H2,1-2H3
• InChIKey: HTLYZFJAYOQUFS-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 129.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.58
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164921081) is 4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(OC(C)c3cc(C(F)(F)F)cnc3N3CC(O)C3)c3c(C#N)cnn3c2)nnn1C1CCNCC1.

What is the InChIKey of 4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is HTLYZFJAYOQUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N9O2/c1-15-24(35-36-39(15)20-3-5-32-6-4-20)17-7-23(25-18(9-31)10-34-38(25)12-17)41-16(2)22-8-19(27(28,29)30)11-33-26(22)37-13-21(40)14-37/h7-8,10-12,16,20-21,32,40H,3-6,13-14H2,1-2H3.

What are the key properties of 4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 567.58 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164921081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).