5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide

C149H183ClN26O18 — CID 158742138

IUPAC5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccccc1N1CCN(c2cc(C3CC3)c(C(=O)NCCCN3CCCC3=O)cc2N)CC1.Cc1ccccc1N1CCN(c2cc(C3CC3)c(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccco2)CC1.Cc1ccccc1N1CCN(c2cc(C3CC3)c(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)CC1.Cc1ccccc1N1CCN(c2cc(C3CC3)c(C(=O)NCCCN3CCCC3=O)cc2[N+](=O)[O-])CC1.Cc1ccccc1N1CCN(c2cc(Cl)c(C(=O)NCCCN3CCCC3=O)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C35H42N6O4.C33H39N5O4.C28H35N5O4.C28H37N5O2.C25H30ClN5O4/c1-23-6-2-3-7-30(23)39-16-18-40(19-17-39)31-21-26(24-9-10-24)27(33(43)36-13-5-15-41-14-4-8-32(41)42)20-28(31)37-34(44)29-22-45-35(38-29)25-11-12-25;1-23-7-2-3-8-28(23)36-16-18-37(19-17-36)29-22-25(24-11-12-24)26(21-27(29)35-33(41)30-9-5-20-42-30)32(40)34-13-6-15-38-14-4-10-31(38)39;1-20-6-2-3-7-24(20)30-14-16-31(17-15-30)25-18-22(21-9-10-21)23(19-26(25)33(36)37)28(35)29-11-5-13-32-12-4-8-27(32)34;1-20-6-2-3-7-25(20)31-14-16-32(17-15-31)26-19-22(21-9-10-21)23(18-24(26)29)28(35)30-11-5-13-33-12-4-8-27(33)34;1-18-6-2-3-7-21(18)28-12-14-29(15-13-28)22-17-20(26)19(16-23(22)31(34)35)25(33)27-9-5-11-30-10-4-8-24(30)32/h2-3,6-7,20-22,24-25H,4-5,8-19H2,1H3,(H,36,43)(H,37,44);2-3,5,7-9,20-22,24H,4,6,10-19H2,1H3,(H,34,40)(H,35,41);2-3,6-7,18-19,21H,4-5,8-17H2,1H3,(H,29,35);2-3,6-7,18-19,21H,4-5,8-17,29H2,1H3,(H,30,35);2-3,6-7,16-17H,4-5,8-15H2,1H3,(H,27,33)
InChIKeyIMKUPRGMBXZIEU-UHFFFAOYSA-N
MW2661.72 g/mol
LogP20.84
Rot. Bonds46

About 5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide

5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 158742138) has the molecular formula C149H183ClN26O18 and a molecular weight of 2661.72 g/mol. Its IUPAC name is 5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID158742138
Molecular FormulaC149H183ClN26O18
Molecular Weight2661.72 g/mol
Exact Mass2659.39
IUPAC Name5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccccc1N1CCN(c2cc(C3CC3)c(C(=O)NCCCN3CCCC3=O)cc2N)CC1.Cc1ccccc1N1CCN(c2cc(C3CC3)c(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccco2)CC1.Cc1ccccc1N1CCN(c2cc(C3CC3)c(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)CC1.Cc1ccccc1N1CCN(c2cc(C3CC3)c(C(=O)NCCCN3CCCC3=O)cc2[N+](=O)[O-])CC1.Cc1ccccc1N1CCN(c2cc(Cl)c(C(=O)NCCCN3CCCC3=O)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C35H42N6O4.C33H39N5O4.C28H35N5O4.C28H37N5O2.C25H30ClN5O4/c1-23-6-2-3-7-30(23)39-16-18-40(19-17-39)31-21-26(24-9-10-24)27(33(43)36-13-5-15-41-14-4-8-32(41)42)20-28(31)37-34(44)29-22-45-35(38-29)25-11-12-25;1-23-7-2-3-8-28(23)36-16-18-37(19-17-36)29-22-25(24-11-12-24)26(21-27(29)35-33(41)30-9-5-20-42-30)32(40)34-13-6-15-38-14-4-10-31(38)39;1-20-6-2-3-7-24(20)30-14-16-31(17-15-30)25-18-22(21-9-10-21)23(19-26(25)33(36)37)28(35)29-11-5-13-32-12-4-8-27(32)34;1-20-6-2-3-7-25(20)31-14-16-32(17-15-31)26-19-22(21-9-10-21)23(18-24(26)29)28(35)30-11-5-13-33-12-4-8-27(33)34;1-18-6-2-3-7-21(18)28-12-14-29(15-13-28)22-17-20(26)19(16-23(22)31(34)35)25(33)27-9-5-11-30-10-4-8-24(30)32/h2-3,6-7,20-22,24-25H,4-5,8-19H2,1H3,(H,36,43)(H,37,44);2-3,5,7-9,20-22,24H,4,6,10-19H2,1H3,(H,34,40)(H,35,41);2-3,6-7,18-19,21H,4-5,8-17H2,1H3,(H,29,35);2-3,6-7,18-19,21H,4-5,8-17,29H2,1H3,(H,30,35);2-3,6-7,16-17H,4-5,8-15H2,1H3,(H,27,33)
InChIKeyIMKUPRGMBXZIEU-UHFFFAOYSA-N
XLogP20.84
TPSA489.12 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds46
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002661.72
LogP ≤ 520.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 161301244
N-[2-[4-(2-methylphenyl)piperidin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 90676909
2-cyclopropyl-N-[5-[[2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 71234222
N-[4-chloro-5-[[(1S,2R,3S)-2,3-dihydroxycyclohexyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-cyclopropyl-1,3-oxazole-4-carboxamide
CID 71667658
2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide
CID 71234139
2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 71234234
2-methyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71233957
N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide
CID 134547053
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3870656
5-ethyl-N-[2-[1-(2-methylphenyl)piperidin-4-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 144513818
5-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 71234024
N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 126498858

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide (CID 158742138) is 5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide is Cc1ccccc1N1CCN(c2cc(C3CC3)c(C(=O)NCCCN3CCCC3=O)cc2N)CC1.Cc1ccccc1N1CCN(c2cc(C3CC3)c(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccco2)CC1.Cc1ccccc1N1CCN(c2cc(C3CC3)c(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)CC1.Cc1ccccc1N1CCN(c2cc(C3CC3)c(C(=O)NCCCN3CCCC3=O)cc2[N+](=O)[O-])CC1.Cc1ccccc1N1CCN(c2cc(Cl)c(C(=O)NCCCN3CCCC3=O)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is IMKUPRGMBXZIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N6O4.C33H39N5O4.C28H35N5O4.C28H37N5O2.C25H30ClN5O4/c1-23-6-2-3-7-30(23)39-16-18-40(19-17-39)31-21-26(24-9-10-24)27(33(43)36-13-5-15-41-14-4-8-32(41)42)20-28(31)37-34(44)29-22-45-35(38-29)25-11-12-25;1-23-7-2-3-8-28(23)36-16-18-37(19-17-36)29-22-25(24-11-12-24)26(21-27(29)35-33(41)30-9-5-20-42-30)32(40)34-13-6-15-38-14-4-10-31(38)39;1-20-6-2-3-7-24(20)30-14-16-31(17-15-30)25-18-22(21-9-10-21)23(19-26(25)33(36)37)28(35)29-11-5-13-32-12-4-8-27(32)34;1-20-6-2-3-7-25(20)31-14-16-32(17-15-31)26-19-22(21-9-10-21)23(18-24(26)29)28(35)30-11-5-13-33-12-4-8-27(33)34;1-18-6-2-3-7-21(18)28-12-14-29(15-13-28)22-17-20(26)19(16-23(22)31(34)35)25(33)27-9-5-11-30-10-4-8-24(30)32/h2-3,6-7,20-22,24-25H,4-5,8-19H2,1H3,(H,36,43)(H,37,44);2-3,5,7-9,20-22,24H,4,6,10-19H2,1H3,(H,34,40)(H,35,41);2-3,6-7,18-19,21H,4-5,8-17H2,1H3,(H,29,35);2-3,6-7,18-19,21H,4-5,8-17,29H2,1H3,(H,30,35);2-3,6-7,16-17H,4-5,8-15H2,1H3,(H,27,33).
What are the key properties of 5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide?
5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 2661.72 g/mol, XLogP of 20.84, 46 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;N-[4-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 158742138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).