sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide

C61H55ClF15N26NaO8 — CID 159774115

About sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide

sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide (PubChem CID 159774115) has the molecular formula C61H55ClF15N26NaO8 and a molecular weight of 1624.70 g/mol. Its IUPAC name is sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide.

Molecular Properties

• Compound Name: sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide
• PubChem CID: 159774115
• Molecular Formula: C61H55ClF15N26NaO8
• Molecular Weight: 1624.70 g/mol
• Exact Mass: 1623.41
• IUPAC Name: sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide
• SMILES: CCOC(=O)c1cn(-c2cnccn2)nc1C(F)F.CCOC(=O)c1cn[nH]c1C(F)F.C[C@H](n1cnnc1-c1cccc(N)n1)C(F)(F)F.C[C@H](n1cnnc1-c1cccc(NC(=O)c2cn(-c3cnccn3)nc2C(F)F)n1)C(F)(F)F.Clc1cnccn1.O=C(O)c1cn(-c2cnccn2)nc1C(F)F.[2H]CF.[Na+].[OH-]
• InChI: InChI=1S/C19H14F5N9O.C11H10F2N4O2.C10H10F3N5.C9H6F2N4O2.C7H8F2N2O2.C4H3ClN2.CH3F.Na.H2O/c1-10(19(22,23)24)32-9-27-30-17(32)12-3-2-4-13(28-12)29-18(34)11-8-33(31-15(11)16(20)21)14-7-25-5-6-26-14;1-2-19-11(18)7-6-17(16-9(7)10(12)13)8-5-14-3-4-15-8;1-6(10(11,12)13)18-5-15-17-9(18)7-3-2-4-8(14)16-7;10-8(11)7-5(9(16)17)4-15(14-7)6-3-12-1-2-13-6;1-2-13-7(12)4-3-10-11-5(4)6(8)9;5-4-3-6-1-2-7-4;1-2;;/h2-10,16H,1H3,(H,28,29,34);3-6,10H,2H2,1H3;2-6H,1H3,(H2,14,16);1-4,8H,(H,16,17);3,6H,2H2,1H3,(H,10,11);1-3H;1H3;;1H2/q;;;;;;;+1;/p-1/t10-;;6-;;;;;;/m0.0....../s1/i;;;;;;1D
• InChIKey: NGMVMNGTUCCZKW-XADIWMFMSA-M
• XLogP: 8.82
• TPSA: 447.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.70
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide?

The IUPAC name of sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide (CID 159774115) is sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide.

What is the SMILES notation for sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide?

The canonical SMILES for sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide is CCOC(=O)c1cn(-c2cnccn2)nc1C(F)F.CCOC(=O)c1cn[nH]c1C(F)F.C[C@H](n1cnnc1-c1cccc(N)n1)C(F)(F)F.C[C@H](n1cnnc1-c1cccc(NC(=O)c2cn(-c3cnccn3)nc2C(F)F)n1)C(F)(F)F.Clc1cnccn1.O=C(O)c1cn(-c2cnccn2)nc1C(F)F.[2H]CF.[Na+].[OH-].

What is the InChIKey of sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide?

The InChIKey is NGMVMNGTUCCZKW-XADIWMFMSA-M. The full InChI is InChI=1S/C19H14F5N9O.C11H10F2N4O2.C10H10F3N5.C9H6F2N4O2.C7H8F2N2O2.C4H3ClN2.CH3F.Na.H2O/c1-10(19(22,23)24)32-9-27-30-17(32)12-3-2-4-13(28-12)29-18(34)11-8-33(31-15(11)16(20)21)14-7-25-5-6-26-14;1-2-19-11(18)7-6-17(16-9(7)10(12)13)8-5-14-3-4-15-8;1-6(10(11,12)13)18-5-15-17-9(18)7-3-2-4-8(14)16-7;10-8(11)7-5(9(16)17)4-15(14-7)6-3-12-1-2-13-6;1-2-13-7(12)4-3-10-11-5(4)6(8)9;5-4-3-6-1-2-7-4;1-2;;/h2-10,16H,1H3,(H,28,29,34);3-6,10H,2H2,1H3;2-6H,1H3,(H2,14,16);1-4,8H,(H,16,17);3,6H,2H2,1H3,(H,10,11);1-3H;1H3;;1H2/q;;;;;;;+1;/p-1/t10-;;6-;;;;;;/m0.0....../s1/i;;;;;;1D;;.

What are the key properties of sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide?

sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide has a molecular weight of 1624.70 g/mol, XLogP of 8.82, 18 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide is sourced from PubChem (CID 159774115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).