bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide)

C148H160F6N46O10 — CID 158611296

IUPACbis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide)
SMILESCc1cc(CN)nc(-n2ccnc2)n1.Cc1cc(CN)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2Cc2ccc(C(F)(F)F)cc2)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2Cc2ccc(C(F)(F)F)cc2)nc(-n2ccnc2)n1
InChIInChI=1S/2C29H28N6O3.2C22H23F3N6O.2C14H18N6O.2C9H11N5/c2*1-19-15-20(33-28(32-19)34-14-12-30-18-34)16-31-27(36)26-11-6-13-35(26)29(37)38-17-25-23-9-4-2-7-21(23)22-8-3-5-10-24(22)25;2*1-15-11-18(29-21(28-15)31-10-8-26-14-31)12-27-20(32)19-3-2-9-30(19)13-16-4-6-17(7-5-16)22(23,24)25;2*1-10-7-11(8-17-13(21)12-3-2-4-16-12)19-14(18-10)20-6-5-15-9-20;2*1-7-4-8(5-10)13-9(12-7)14-3-2-11-6-14/h2*2-5,7-10,12,14-15,18,25-26H,6,11,13,16-17H2,1H3,(H,31,36);2*4-8,10-11,14,19H,2-3,9,12-13H2,1H3,(H,27,32);2*5-7,9,12,16H,2-4,8H2,1H3,(H,17,21);2*2-4,6H,5,10H2,1H3
InChIKeyHWWGWGFNLGIXFI-UHFFFAOYSA-N
MW2857.21 g/mol
LogP16.08
Rot. Bonds36

About bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide)

bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide) (PubChem CID 158611296) has the molecular formula C148H160F6N46O10 and a molecular weight of 2857.21 g/mol. Its IUPAC name is bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide).

Molecular Properties

Compound Namebis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide)
PubChem CID158611296
Molecular FormulaC148H160F6N46O10
Molecular Weight2857.21 g/mol
Exact Mass2855.33
IUPAC Namebis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide)
SMILESCc1cc(CN)nc(-n2ccnc2)n1.Cc1cc(CN)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2Cc2ccc(C(F)(F)F)cc2)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2Cc2ccc(C(F)(F)F)cc2)nc(-n2ccnc2)n1
InChIInChI=1S/2C29H28N6O3.2C22H23F3N6O.2C14H18N6O.2C9H11N5/c2*1-19-15-20(33-28(32-19)34-14-12-30-18-34)16-31-27(36)26-11-6-13-35(26)29(37)38-17-25-23-9-4-2-7-21(23)22-8-3-5-10-24(22)25;2*1-15-11-18(29-21(28-15)31-10-8-26-14-31)12-27-20(32)19-3-2-9-30(19)13-16-4-6-17(7-5-16)22(23,24)25;2*1-10-7-11(8-17-13(21)12-3-2-4-16-12)19-14(18-10)20-6-5-15-9-20;2*1-7-4-8(5-10)13-9(12-7)14-3-2-11-6-14/h2*2-5,7-10,12,14-15,18,25-26H,6,11,13,16-17H2,1H3,(H,31,36);2*4-8,10-11,14,19H,2-3,9,12-13H2,1H3,(H,27,32);2*5-7,9,12,16H,2-4,8H2,1H3,(H,17,21);2*2-4,6H,5,10H2,1H3
InChIKeyHWWGWGFNLGIXFI-UHFFFAOYSA-N
XLogP16.08
TPSA665.06 Ų
H-Bond Donors10
H-Bond Acceptors48
Rotatable Bonds36
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002857.21
LogP ≤ 516.08
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1048

Analyze bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide)?
The IUPAC name of bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide) (CID 158611296) is bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide).
What is the SMILES notation for bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide)?
The canonical SMILES for bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide) is Cc1cc(CN)nc(-n2ccnc2)n1.Cc1cc(CN)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2Cc2ccc(C(F)(F)F)cc2)nc(-n2ccnc2)n1.Cc1cc(CNC(=O)C2CCCN2Cc2ccc(C(F)(F)F)cc2)nc(-n2ccnc2)n1.
What is the InChIKey of bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide)?
The InChIKey is HWWGWGFNLGIXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H28N6O3.2C22H23F3N6O.2C14H18N6O.2C9H11N5/c2*1-19-15-20(33-28(32-19)34-14-12-30-18-34)16-31-27(36)26-11-6-13-35(26)29(37)38-17-25-23-9-4-2-7-21(23)22-8-3-5-10-24(22)25;2*1-15-11-18(29-21(28-15)31-10-8-26-14-31)12-27-20(32)19-3-2-9-30(19)13-16-4-6-17(7-5-16)22(23,24)25;2*1-10-7-11(8-17-13(21)12-3-2-4-16-12)19-14(18-10)20-6-5-15-9-20;2*1-7-4-8(5-10)13-9(12-7)14-3-2-11-6-14/h2*2-5,7-10,12,14-15,18,25-26H,6,11,13,16-17H2,1H3,(H,31,36);2*4-8,10-11,14,19H,2-3,9,12-13H2,1H3,(H,27,32);2*5-7,9,12,16H,2-4,8H2,1H3,(H,17,21);2*2-4,6H,5,10H2,1H3.
What are the key properties of bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide)?
bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide) has a molecular weight of 2857.21 g/mol, XLogP of 16.08, 36 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9H-fluoren-9-ylmethyl 2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate);bis((2-imidazol-1-yl-6-methylpyrimidin-4-yl)methanamine);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide);bis(N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide) is sourced from PubChem (CID 158611296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).