dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate

C62H70Cl4F3K2N15O6 — CID 172984471

About dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate

dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate (PubChem CID 172984471) has the molecular formula C62H70Cl4F3K2N15O6 and a molecular weight of 1398.34 g/mol. Its IUPAC name is dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate
• PubChem CID: 172984471
• Molecular Formula: C62H70Cl4F3K2N15O6
• Molecular Weight: 1398.34 g/mol
• Exact Mass: 1395.36
• IUPAC Name: dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate
• SMILES: C/C=N\Nc1ccncc1.Cc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4cnccc4n3)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4cnccc43)[C@@H](C)C2)c(F)cc1Cl.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/2C20H21ClFN5O.C14H17Cl2FN2O.C7H9N3.CH2O3.2K.H/c1-13-7-19(17(22)8-16(13)21)25-5-6-26(14(2)11-25)20(28)12-27-18-3-4-23-9-15(18)10-24-27;1-13-7-19(17(22)8-16(13)21)25-5-6-27(14(2)10-25)20(28)12-26-11-15-9-23-4-3-18(15)24-26;1-9-5-13(12(17)6-11(9)16)18-3-4-19(10(2)8-18)14(20)7-15;1-2-9-10-7-3-5-8-6-4-7;2-1-4-3;;;/h3-4,7-10,14H,5-6,11-12H2,1-2H3;3-4,7-9,11,14H,5-6,10,12H2,1-2H3;5-6,10H,3-4,7-8H2,1-2H3;2-6H,1H3,(H,8,10);1,3H;;;/q;;;;;2*+1;-1/p-1/b;;;9-2-;;;;/t2*14-;10-;;;;;/m000...../s1
• InChIKey: SLYKCUKHVRZVDB-VNRQUXBJSA-M
• XLogP: 3.66
• TPSA: 218.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1398.34
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate?

The IUPAC name of dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate (CID 172984471) is dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate.

What is the SMILES notation for dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate?

The canonical SMILES for dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate is C/C=N\Nc1ccncc1.Cc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4cnccc4n3)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4cnccc43)[C@@H](C)C2)c(F)cc1Cl.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate?

The InChIKey is SLYKCUKHVRZVDB-VNRQUXBJSA-M. The full InChI is InChI=1S/2C20H21ClFN5O.C14H17Cl2FN2O.C7H9N3.CH2O3.2K.H/c1-13-7-19(17(22)8-16(13)21)25-5-6-26(14(2)11-25)20(28)12-27-18-3-4-23-9-15(18)10-24-27;1-13-7-19(17(22)8-16(13)21)25-5-6-27(14(2)10-25)20(28)12-26-11-15-9-23-4-3-18(15)24-26;1-9-5-13(12(17)6-11(9)16)18-3-4-19(10(2)8-18)14(20)7-15;1-2-9-10-7-3-5-8-6-4-7;2-1-4-3;;;/h3-4,7-10,14H,5-6,11-12H2,1-2H3;3-4,7-9,11,14H,5-6,10,12H2,1-2H3;5-6,10H,3-4,7-8H2,1-2H3;2-6H,1H3,(H,8,10);1,3H;;;/q;;;;;2*+1;-1/p-1/b;;;9-2-;;;;/t2*14-;10-;;;;;/m000...../s1.

What are the key properties of dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate?

dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate has a molecular weight of 1398.34 g/mol, XLogP of 3.66, 11 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;N-[(Z)-ethylideneamino]pyridin-4-amine;hydride;oxido formate is sourced from PubChem (CID 172984471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).