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

C27H32Cl2F3N9O2 — CID 175872803

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

4-[1-[2-(2-methoxyethylamino)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride (PubChem CID 175872803) has the molecular formula C27H32Cl2F3N9O2 and a molecular weight of 642.51 g/mol. Its IUPAC name is 4-[1-[2-(2-methoxyethylamino)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride.

Molecular Properties

• Compound Name: 4-[1-[2-(2-methoxyethylamino)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
• PubChem CID: 175872803
• Molecular Formula: C27H32Cl2F3N9O2
• Molecular Weight: 642.51 g/mol
• Exact Mass: 641.20
• IUPAC Name: 4-[1-[2-(2-methoxyethylamino)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
• SMILES: COCCNc1ncc(C(F)(F)F)cc1C(C)Oc1cc(-c2nnn(C3CCNCC3)c2C)cn2ncc(C#N)c12.Cl.Cl
• InChI: InChI=1S/C27H30F3N9O2.2ClH/c1-16-24(36-37-39(16)21-4-6-32-7-5-21)18-10-23(25-19(12-31)13-35-38(25)15-18)41-17(2)22-11-20(27(28,29)30)14-34-26(22)33-8-9-40-3;;/h10-11,13-15,17,21,32H,4-9H2,1-3H3,(H,33,34);2*1H
• InChIKey: JHHZHJLIZVCDBC-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 127.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	642.51
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[1-[2-(2-methoxyethylamino)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride (CID 175872803) is 4-[1-[2-(2-methoxyethylamino)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride.

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

The canonical SMILES for 4-[1-[2-(2-methoxyethylamino)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride is COCCNc1ncc(C(F)(F)F)cc1C(C)Oc1cc(-c2nnn(C3CCNCC3)c2C)cn2ncc(C#N)c12.Cl.Cl.

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

The InChIKey is JHHZHJLIZVCDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N9O2.2ClH/c1-16-24(36-37-39(16)21-4-6-32-7-5-21)18-10-23(25-19(12-31)13-35-38(25)15-18)41-17(2)22-11-20(27(28,29)30)14-34-26(22)33-8-9-40-3;;/h10-11,13-15,17,21,32H,4-9H2,1-3H3,(H,33,34);2*1H.

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

4-[1-[2-(2-methoxyethylamino)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride has a molecular weight of 642.51 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-(2-methoxyethylamino)-5-(trifluoromethyl)-3-pyridinyl]ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride is sourced from PubChem (CID 175872803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).