[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C169H195Cl6F4N37O6 — CID 159876828

IUPAC[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ncc(F)cn3)C[C@@H]2C)n1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCn3c(cc4ccccc43)C2)n1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCn3nc(-c4ccccc4)cc3C2)n1C.Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)c(F)c3)C[C@@H]2C)n1C.Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1C.Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3cccc(C#N)c3)CC2)n1C
InChIInChI=1S/C30H33ClN6O.C29H32ClN5O.C28H33ClF2N6O.C28H32ClN7O.C27H33ClFN7O.C27H32ClFN6O/c1-22-24(20-34-12-14-35(15-13-34)28-11-7-6-10-26(28)31)18-29(33(22)2)30(38)36-16-17-37-25(21-36)19-27(32-37)23-8-4-3-5-9-23;1-21-23(19-32-11-13-33(14-12-32)27-10-6-4-8-25(27)30)18-28(31(21)2)29(36)34-15-16-35-24(20-34)17-22-7-3-5-9-26(22)35;1-19-17-36(22-6-7-24(30)25(31)16-22)13-14-37(19)28(38)26-15-21(20(2)33(26)3)18-34-9-11-35(12-10-34)27-23(29)5-4-8-32-27;1-21-23(20-33-9-11-35(12-10-33)27-25(29)7-4-8-31-27)18-26(32(21)2)28(37)36-15-13-34(14-16-36)24-6-3-5-22(17-24)19-30;1-19-17-35(27-30-15-22(29)16-31-27)12-13-36(19)26(37)25-14-21(20(2)32(25)3)18-33-8-10-34(11-9-33)24-7-5-4-6-23(24)28;1-20-21(19-32-10-12-34(13-11-32)26-24(28)4-3-9-30-26)18-25(31(20)2)27(36)35-16-14-33(15-17-35)23-7-5-22(29)6-8-23/h3-11,18-19H,12-17,20-21H2,1-2H3;3-10,17-18H,11-16,19-20H2,1-2H3;4-8,15-16,19H,9-14,17-18H2,1-3H3;3-8,17-18H,9-16,20H2,1-2H3;4-7,14-16,19H,8-13,17-18H2,1-3H3;3-9,18H,10-17,19H2,1-2H3/t;;19-;;19-;/m..0.0./s1
InChIKeyNSZXBLBWCHSPLC-RFYNJKMASA-N
MW3129.38 g/mol
LogP25.01
Rot. Bonds29

About [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 159876828) has the molecular formula C169H195Cl6F4N37O6 and a molecular weight of 3129.38 g/mol. Its IUPAC name is [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID159876828
Molecular FormulaC169H195Cl6F4N37O6
Molecular Weight3129.38 g/mol
Exact Mass3124.42
IUPAC Name[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ncc(F)cn3)C[C@@H]2C)n1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCn3c(cc4ccccc43)C2)n1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCn3nc(-c4ccccc4)cc3C2)n1C.Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)c(F)c3)C[C@@H]2C)n1C.Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1C.Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3cccc(C#N)c3)CC2)n1C
InChIInChI=1S/C30H33ClN6O.C29H32ClN5O.C28H33ClF2N6O.C28H32ClN7O.C27H33ClFN7O.C27H32ClFN6O/c1-22-24(20-34-12-14-35(15-13-34)28-11-7-6-10-26(28)31)18-29(33(22)2)30(38)36-16-17-37-25(21-36)19-27(32-37)23-8-4-3-5-9-23;1-21-23(19-32-11-13-33(14-12-32)27-10-6-4-8-25(27)30)18-28(31(21)2)29(36)34-15-16-35-24(20-34)17-22-7-3-5-9-26(22)35;1-19-17-36(22-6-7-24(30)25(31)16-22)13-14-37(19)28(38)26-15-21(20(2)33(26)3)18-34-9-11-35(12-10-34)27-23(29)5-4-8-32-27;1-21-23(20-33-9-11-35(12-10-33)27-25(29)7-4-8-31-27)18-26(32(21)2)28(37)36-15-13-34(14-16-36)24-6-3-5-22(17-24)19-30;1-19-17-35(27-30-15-22(29)16-31-27)12-13-36(19)26(37)25-14-21(20(2)32(25)3)18-33-8-10-34(11-9-33)24-7-5-4-6-23(24)28;1-20-21(19-32-10-12-34(13-11-32)26-24(28)4-3-9-30-26)18-25(31(20)2)27(36)35-16-14-33(15-17-35)23-7-5-22(29)6-8-23/h3-11,18-19H,12-17,20-21H2,1-2H3;3-10,17-18H,11-16,19-20H2,1-2H3;4-8,15-16,19H,9-14,17-18H2,1-3H3;3-8,17-18H,9-16,20H2,1-2H3;4-7,14-16,19H,8-13,17-18H2,1-3H3;3-9,18H,10-17,19H2,1-2H3/t;;19-;;19-;/m..0.0./s1
InChIKeyNSZXBLBWCHSPLC-RFYNJKMASA-N
XLogP25.01
TPSA314.27 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds29
Heavy Atoms222
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003129.38
LogP ≤ 525.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 159876828) is [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ncc(F)cn3)C[C@@H]2C)n1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCn3c(cc4ccccc43)C2)n1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCn3nc(-c4ccccc4)cc3C2)n1C.Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)c(F)c3)C[C@@H]2C)n1C.Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1C.Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3cccc(C#N)c3)CC2)n1C.
What is the InChIKey of [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is NSZXBLBWCHSPLC-RFYNJKMASA-N. The full InChI is InChI=1S/C30H33ClN6O.C29H32ClN5O.C28H33ClF2N6O.C28H32ClN7O.C27H33ClFN7O.C27H32ClFN6O/c1-22-24(20-34-12-14-35(15-13-34)28-11-7-6-10-26(28)31)18-29(33(22)2)30(38)36-16-17-37-25(21-36)19-27(32-37)23-8-4-3-5-9-23;1-21-23(19-32-11-13-33(14-12-32)27-10-6-4-8-25(27)30)18-28(31(21)2)29(36)34-15-16-35-24(20-34)17-22-7-3-5-9-26(22)35;1-19-17-36(22-6-7-24(30)25(31)16-22)13-14-37(19)28(38)26-15-21(20(2)33(26)3)18-34-9-11-35(12-10-34)27-23(29)5-4-8-32-27;1-21-23(20-33-9-11-35(12-10-33)27-25(29)7-4-8-31-27)18-26(32(21)2)28(37)36-15-13-34(14-16-36)24-6-3-5-22(17-24)19-30;1-19-17-35(27-30-15-22(29)16-31-27)12-13-36(19)26(37)25-14-21(20(2)32(25)3)18-33-8-10-34(11-9-33)24-7-5-4-6-23(24)28;1-20-21(19-32-10-12-34(13-11-32)26-24(28)4-3-9-30-26)18-25(31(20)2)27(36)35-16-14-33(15-17-35)23-7-5-22(29)6-8-23/h3-11,18-19H,12-17,20-21H2,1-2H3;3-10,17-18H,11-16,19-20H2,1-2H3;4-8,15-16,19H,9-14,17-18H2,1-3H3;3-8,17-18H,9-16,20H2,1-2H3;4-7,14-16,19H,8-13,17-18H2,1-3H3;3-9,18H,10-17,19H2,1-2H3/t;;19-;;19-;/m..0.0./s1.
What are the key properties of [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 3129.38 g/mol, XLogP of 25.01, 29 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3-[4-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 159876828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).