1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone

C97H101Cl5F2IN25O10 — CID 157237755

About 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone

1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone (PubChem CID 157237755) has the molecular formula C97H101Cl5F2IN25O10 and a molecular weight of 2119.20 g/mol. Its IUPAC name is 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone.

Molecular Properties

• Compound Name: 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone
• PubChem CID: 157237755
• Molecular Formula: C97H101Cl5F2IN25O10
• Molecular Weight: 2119.20 g/mol
• Exact Mass: 2115.56
• IUPAC Name: 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone
• SMILES: COc1cc(N2CCN(C(=O)Cn3ncc4c(I)ccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc(C)nc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)[C@@H](C)C2)c(F)cc1Cl
• InChI: InChI=1S/C20H21ClFN5O2.C20H22ClN5O2.C19H19ClFN5O2.C19H19ClIN5O2.C19H20ClN5O2/c1-13-11-25(17-9-18(29-2)15(21)8-16(17)22)6-7-26(13)19(28)12-27-20-14(10-24-27)4-3-5-23-20;1-14-3-4-15-12-22-26(20(15)23-14)13-19(27)25-9-7-24(8-10-25)16-5-6-17(21)18(11-16)28-2;1-28-17-10-16(15(21)9-14(17)20)24-5-7-25(8-6-24)18(27)12-26-19-13(11-23-26)3-2-4-22-19;1-28-17-10-13(2-3-15(17)20)24-6-8-25(9-7-24)18(27)12-26-19-14(11-23-26)16(21)4-5-22-19;1-27-17-11-15(4-5-16(17)20)23-7-9-24(10-8-23)18(26)13-25-19-14(12-22-25)3-2-6-21-19/h3-5,8-10,13H,6-7,11-12H2,1-2H3;3-6,11-12H,7-10,13H2,1-2H3;2-4,9-11H,5-8,12H2,1H3;2-5,10-11H,6-9,12H2,1H3;2-6,11-12H,7-10,13H2,1H3/t13-;;;;/m0..../s1
• InChIKey: AUVKVSOOHOPNOS-AHJYMZSGSA-N
• XLogP: 13.79
• TPSA: 317.45 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2119.20
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone?

The IUPAC name of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone (CID 157237755) is 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone.

What is the SMILES notation for 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone?

The canonical SMILES for 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone is COc1cc(N2CCN(C(=O)Cn3ncc4c(I)ccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccc(C)nc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)[C@@H](C)C2)c(F)cc1Cl.

What is the InChIKey of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone?

The InChIKey is AUVKVSOOHOPNOS-AHJYMZSGSA-N. The full InChI is InChI=1S/C20H21ClFN5O2.C20H22ClN5O2.C19H19ClFN5O2.C19H19ClIN5O2.C19H20ClN5O2/c1-13-11-25(17-9-18(29-2)15(21)8-16(17)22)6-7-26(13)19(28)12-27-20-14(10-24-27)4-3-5-23-20;1-14-3-4-15-12-22-26(20(15)23-14)13-19(27)25-9-7-24(8-10-25)16-5-6-17(21)18(11-16)28-2;1-28-17-10-16(15(21)9-14(17)20)24-5-7-25(8-6-24)18(27)12-26-19-13(11-23-26)3-2-4-22-19;1-28-17-10-13(2-3-15(17)20)24-6-8-25(9-7-24)18(27)12-26-19-14(11-23-26)16(21)4-5-22-19;1-27-17-11-15(4-5-16(17)20)23-7-9-24(10-8-23)18(26)13-25-19-14(12-22-25)3-2-6-21-19/h3-5,8-10,13H,6-7,11-12H2,1-2H3;3-6,11-12H,7-10,13H2,1-2H3;2-4,9-11H,5-8,12H2,1H3;2-5,10-11H,6-9,12H2,1H3;2-6,11-12H,7-10,13H2,1H3/t13-;;;;/m0..../s1.

What are the key properties of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone?

1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone has a molecular weight of 2119.20 g/mol, XLogP of 13.79, 20 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone is sourced from PubChem (CID 157237755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).