1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone

C107H108Cl5F3N26O10 — CID 159282750

IUPAC1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3cc4ccccc4n3)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C4=NC=CC4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccncc43)CC2)ccc1Cl
InChIInChI=1S/C25H24ClFN6O2.C24H24ClFN6O2.C20H21ClN4O2.C19H19ClFN5O2.C19H20ClN5O2/c1-16-14-31(21-13-22(35-2)18(26)12-19(21)27)10-11-32(16)23(34)15-33-25-17(6-5-9-29-25)24(30-33)20-7-3-4-8-28-20;1-15-13-30(20-12-21(34-2)17(25)11-18(20)26)9-10-31(15)22(33)14-32-24-16(5-3-8-28-24)23(29-32)19-6-4-7-27-19;1-27-19-12-16(6-7-17(19)21)23-8-10-24(11-9-23)20(26)14-25-13-15-4-2-3-5-18(15)22-25;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;1-27-18-10-15(2-3-16(18)20)23-6-8-24(9-7-23)19(26)13-25-17-12-21-5-4-14(17)11-22-25/h3-9,12-13,16H,10-11,14-15H2,1-2H3;3-5,7-8,11-12,15H,6,9-10,13-14H2,1-2H3;2-7,12-13H,8-11,14H2,1H3;2-4,9-11H,5-8,12H2,1H3;2-5,10-12H,6-9,13H2,1H3/t16-;15-;;;/m00.../s1
InChIKeyKZCZCORZJIXXTN-RQLUZOEHSA-N
MW2152.47 g/mol
LogP15.78
Rot. Bonds22

About 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone

1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone (PubChem CID 159282750) has the molecular formula C107H108Cl5F3N26O10 and a molecular weight of 2152.47 g/mol. Its IUPAC name is 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone.

Molecular Properties

Compound Name1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone
PubChem CID159282750
Molecular FormulaC107H108Cl5F3N26O10
Molecular Weight2152.47 g/mol
Exact Mass2148.71
IUPAC Name1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3cc4ccccc4n3)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C4=NC=CC4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccncc43)CC2)ccc1Cl
InChIInChI=1S/C25H24ClFN6O2.C24H24ClFN6O2.C20H21ClN4O2.C19H19ClFN5O2.C19H20ClN5O2/c1-16-14-31(21-13-22(35-2)18(26)12-19(21)27)10-11-32(16)23(34)15-33-25-17(6-5-9-29-25)24(30-33)20-7-3-4-8-28-20;1-15-13-30(20-12-21(34-2)17(25)11-18(20)26)9-10-31(15)22(33)14-32-24-16(5-3-8-28-24)23(29-32)19-6-4-7-27-19;1-27-19-12-16(6-7-17(19)21)23-8-10-24(11-9-23)20(26)14-25-13-15-4-2-3-5-18(15)22-25;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;1-27-18-10-15(2-3-16(18)20)23-6-8-24(9-7-23)19(26)13-25-17-12-21-5-4-14(17)11-22-25/h3-9,12-13,16H,10-11,14-15H2,1-2H3;3-5,7-8,11-12,15H,6,9-10,13-14H2,1-2H3;2-7,12-13H,8-11,14H2,1H3;2-4,9-11H,5-8,12H2,1H3;2-5,10-12H,6-9,13H2,1H3/t16-;15-;;;/m00.../s1
InChIKeyKZCZCORZJIXXTN-RQLUZOEHSA-N
XLogP15.78
TPSA329.81 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002152.47
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone?
The IUPAC name of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone (CID 159282750) is 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone.
What is the SMILES notation for 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone?
The canonical SMILES for 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone is COc1cc(N2CCN(C(=O)Cn3cc4ccccc4n3)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C4=NC=CC4)c4cccnc43)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4ccncc43)CC2)ccc1Cl.
What is the InChIKey of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone?
The InChIKey is KZCZCORZJIXXTN-RQLUZOEHSA-N. The full InChI is InChI=1S/C25H24ClFN6O2.C24H24ClFN6O2.C20H21ClN4O2.C19H19ClFN5O2.C19H20ClN5O2/c1-16-14-31(21-13-22(35-2)18(26)12-19(21)27)10-11-32(16)23(34)15-33-25-17(6-5-9-29-25)24(30-33)20-7-3-4-8-28-20;1-15-13-30(20-12-21(34-2)17(25)11-18(20)26)9-10-31(15)22(33)14-32-24-16(5-3-8-28-24)23(29-32)19-6-4-7-27-19;1-27-19-12-16(6-7-17(19)21)23-8-10-24(11-9-23)20(26)14-25-13-15-4-2-3-5-18(15)22-25;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;1-27-18-10-15(2-3-16(18)20)23-6-8-24(9-7-23)19(26)13-25-17-12-21-5-4-14(17)11-22-25/h3-9,12-13,16H,10-11,14-15H2,1-2H3;3-5,7-8,11-12,15H,6,9-10,13-14H2,1-2H3;2-7,12-13H,8-11,14H2,1H3;2-4,9-11H,5-8,12H2,1H3;2-5,10-12H,6-9,13H2,1H3/t16-;15-;;;/m00.../s1.
What are the key properties of 1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone?
1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone has a molecular weight of 2152.47 g/mol, XLogP of 15.78, 22 rotatable bonds, 0 hydrogen bond donors, and 31 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-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(3H-pyrrol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;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-indazol-2-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone is sourced from PubChem (CID 159282750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).