dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine

C67H71F6K2N9O10 — CID 161127111

About dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine

dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 161127111) has the molecular formula C67H71F6K2N9O10 and a molecular weight of 1370.64 g/mol. Its IUPAC name is dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

• Compound Name: dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine
• PubChem CID: 161127111
• Molecular Formula: C67H71F6K2N9O10
• Molecular Weight: 1370.64 g/mol
• Exact Mass: 1369.55
• IUPAC Name: dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine
• SMILES: C#CC(=O)OCC.Cc1ccncc1.NCc1ccc(C(F)(F)F)cc1.O=CO[O-].[2H]c1c(C)c([2H])c2c(C(=O)CCc3ccc(C(F)(F)F)cc3)c(C)nn2c1[2H].[2H]c1c(C)c([2H])c2c(C(=O)O)c(C)nn2c1[2H].[2H]c1c(C)c([2H])c2c(C(=O)OCC)c(C)nn2c1[2H].[2H]c1nc([2H])c([2H])c(C([2H])([2H])[2H])c1[2H].[H-].[K+].[K+]
• InChI: InChI=1S/C19H17F3N2O.C12H14N2O2.C10H10N2O2.C8H8F3N.2C6H7N.C5H6O2.CH2O3.2K.H/c1-12-9-10-24-16(11-12)18(13(2)23-24)17(25)8-5-14-3-6-15(7-4-14)19(20,21)22;1-4-16-12(15)11-9(3)13-14-6-5-8(2)7-10(11)14;1-6-3-4-12-8(5-6)9(10(13)14)7(2)11-12;9-8(10,11)7-3-1-6(5-12)2-4-7;2*1-6-2-4-7-5-3-6;1-3-5(6)7-4-2;2-1-4-3;;;/h3-4,6-7,9-11H,5,8H2,1-2H3;5-7H,4H2,1-3H3;3-5H,1-2H3,(H,13,14);1-4H,5,12H2;2*2-5H,1H3;1H,4H2,2H3;1,3H;;;/q;;;;;;;;2*+1;-1/p-1/i9D,10D,11D;5D,6D,7D;3D,4D,5D;;1D3,2D,3D,4D,5D
• InChIKey: IXKVFRFSUFWENP-JYICGNJISA-M
• XLogP: 6.24
• TPSA: 260.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1370.64
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine?

The IUPAC name of dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine (CID 161127111) is dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine.

What is the SMILES notation for dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine?

The canonical SMILES for dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine is C#CC(=O)OCC.Cc1ccncc1.NCc1ccc(C(F)(F)F)cc1.O=CO[O-].[2H]c1c(C)c([2H])c2c(C(=O)CCc3ccc(C(F)(F)F)cc3)c(C)nn2c1[2H].[2H]c1c(C)c([2H])c2c(C(=O)O)c(C)nn2c1[2H].[2H]c1c(C)c([2H])c2c(C(=O)OCC)c(C)nn2c1[2H].[2H]c1nc([2H])c([2H])c(C([2H])([2H])[2H])c1[2H].[H-].[K+].[K+].

What is the InChIKey of dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine?

The InChIKey is IXKVFRFSUFWENP-JYICGNJISA-M. The full InChI is InChI=1S/C19H17F3N2O.C12H14N2O2.C10H10N2O2.C8H8F3N.2C6H7N.C5H6O2.CH2O3.2K.H/c1-12-9-10-24-16(11-12)18(13(2)23-24)17(25)8-5-14-3-6-15(7-4-14)19(20,21)22;1-4-16-12(15)11-9(3)13-14-6-5-8(2)7-10(11)14;1-6-3-4-12-8(5-6)9(10(13)14)7(2)11-12;9-8(10,11)7-3-1-6(5-12)2-4-7;2*1-6-2-4-7-5-3-6;1-3-5(6)7-4-2;2-1-4-3;;;/h3-4,6-7,9-11H,5,8H2,1-2H3;5-7H,4H2,1-3H3;3-5H,1-2H3,(H,13,14);1-4H,5,12H2;2*2-5H,1H3;1H,4H2,2H3;1,3H;;;/q;;;;;;;;2*+1;-1/p-1/i9D,10D,11D;5D,6D,7D;3D,4D,5D;;1D3,2D,3D,4D,5D;;;;;;.

What are the key properties of dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine?

dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 1370.64 g/mol, XLogP of 6.24, 11 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 161127111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).