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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine

C41H47Cl3F2N10O2 — CID 158084332

About 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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine

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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine (PubChem CID 158084332) has the molecular formula C41H47Cl3F2N10O2 and a molecular weight of 856.25 g/mol. Its IUPAC name is 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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine.

Molecular Properties

• Compound Name: 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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine
• PubChem CID: 158084332
• Molecular Formula: C41H47Cl3F2N10O2
• Molecular Weight: 856.25 g/mol
• Exact Mass: 854.29
• IUPAC Name: 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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine
• SMILES: C.Cc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4ccncc43)[C@@H](C)C2)c(F)cc1Cl.c1cc2cn[nH]c2cn1
• InChI: InChI=1S/C20H21ClFN5O.C14H17Cl2FN2O.C6H5N3.CH4/c1-13-7-18(17(22)8-16(13)21)25-5-6-26(14(2)11-25)20(28)12-27-19-10-23-4-3-15(19)9-24-27;1-9-5-13(12(17)6-11(9)16)18-3-4-19(10(2)8-18)14(20)7-15;1-2-7-4-6-5(1)3-8-9-6;/h3-4,7-10,14H,5-6,11-12H2,1-2H3;5-6,10H,3-4,7-8H2,1-2H3;1-4H,(H,8,9);1H4/t14-;10-;;/m00../s1
• InChIKey: FNIDUPYTNNIMRC-ZZWHLNRASA-N
• XLogP: 7.93
• TPSA: 119.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.25
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine?

The IUPAC name of 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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine (CID 158084332) is 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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine.

What is the SMILES notation for 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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine?

The canonical SMILES for 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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine is C.Cc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4ccncc43)[C@@H](C)C2)c(F)cc1Cl.c1cc2cn[nH]c2cn1.

What is the InChIKey of 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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine?

The InChIKey is FNIDUPYTNNIMRC-ZZWHLNRASA-N. The full InChI is InChI=1S/C20H21ClFN5O.C14H17Cl2FN2O.C6H5N3.CH4/c1-13-7-18(17(22)8-16(13)21)25-5-6-26(14(2)11-25)20(28)12-27-19-10-23-4-3-15(19)9-24-27;1-9-5-13(12(17)6-11(9)16)18-3-4-19(10(2)8-18)14(20)7-15;1-2-7-4-6-5(1)3-8-9-6;/h3-4,7-10,14H,5-6,11-12H2,1-2H3;5-6,10H,3-4,7-8H2,1-2H3;1-4H,(H,8,9);1H4/t14-;10-;;/m00../s1.

What are the key properties of 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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine?

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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine has a molecular weight of 856.25 g/mol, XLogP of 7.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 158084332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).