[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine

C140H98F4N26O7 — CID 158071741

IUPAC[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESCOc1cc(NC(=O)n2ncc3cc(-c4cccnc4-c4ccc(F)c(C)c4)ccc32)cc(OC)c1OC.Cc1cc(-c2ncccc2-c2ccc3c(cnn3C(=O)OC[C@H](N)CC3=CCc4ccccc43)c2)ccc1F.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C#N)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)cc3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C#N)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(OC)c3)cn12
InChIInChI=1S/C32H27FN4O2.C29H25FN4O4.C20H10FN5.C20H11N5.C20H14N4O.C19H11FN4/c1-20-15-24(10-12-29(20)33)31-28(7-4-14-35-31)22-11-13-30-25(16-22)18-36-37(30)32(38)39-19-26(34)17-23-9-8-21-5-2-3-6-27(21)23;1-17-12-19(7-9-23(17)30)27-22(6-5-11-31-27)18-8-10-24-20(13-18)16-32-34(24)29(35)33-21-14-25(36-2)28(38-4)26(15-21)37-3;1-23-19-11-25-18-7-5-14(12-26(18)19)16-3-2-8-24-20(16)13-4-6-17(21)15(9-13)10-22;1-22-19-12-24-18-8-7-16(13-25(18)19)17-6-3-9-23-20(17)15-5-2-4-14(10-15)11-21;1-21-19-12-23-18-9-8-15(13-24(18)19)17-7-4-10-22-20(17)14-5-3-6-16(11-14)25-2;1-21-18-11-23-17-9-6-14(12-24(17)18)16-3-2-10-22-19(16)13-4-7-15(20)8-5-13/h2-7,9-16,18,26H,8,17,19,34H2,1H3;5-16H,1-4H3,(H,33,35);2-9,11-12H;2-10,12-13H;3-13H,2H3;2-12H/t26-;;;;;/m1...../s1
InChIKeyFLWYZDTUSFZUEJ-QSQMUHTISA-N
MW2332.49 g/mol
LogP31.36
Rot. Bonds21

About [(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine

[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 158071741) has the molecular formula C140H98F4N26O7 and a molecular weight of 2332.49 g/mol. Its IUPAC name is [(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID158071741
Molecular FormulaC140H98F4N26O7
Molecular Weight2332.49 g/mol
Exact Mass2330.80
IUPAC Name[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESCOc1cc(NC(=O)n2ncc3cc(-c4cccnc4-c4ccc(F)c(C)c4)ccc32)cc(OC)c1OC.Cc1cc(-c2ncccc2-c2ccc3c(cnn3C(=O)OC[C@H](N)CC3=CCc4ccccc43)c2)ccc1F.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C#N)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)cc3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C#N)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(OC)c3)cn12
InChIInChI=1S/C32H27FN4O2.C29H25FN4O4.C20H10FN5.C20H11N5.C20H14N4O.C19H11FN4/c1-20-15-24(10-12-29(20)33)31-28(7-4-14-35-31)22-11-13-30-25(16-22)18-36-37(30)32(38)39-19-26(34)17-23-9-8-21-5-2-3-6-27(21)23;1-17-12-19(7-9-23(17)30)27-22(6-5-11-31-27)18-8-10-24-20(13-18)16-32-34(24)29(35)33-21-14-25(36-2)28(38-4)26(15-21)37-3;1-23-19-11-25-18-7-5-14(12-26(18)19)16-3-2-8-24-20(16)13-4-6-17(21)15(9-13)10-22;1-22-19-12-24-18-8-7-16(13-25(18)19)17-6-3-9-23-20(17)15-5-2-4-14(10-15)11-21;1-21-19-12-23-18-9-8-15(13-24(18)19)17-7-4-10-22-20(17)14-5-3-6-16(11-14)25-2;1-21-18-11-23-17-9-6-14(12-24(17)18)16-3-2-10-22-19(16)13-4-7-15(20)8-5-13/h2-7,9-16,18,26H,8,17,19,34H2,1H3;5-16H,1-4H3,(H,33,35);2-9,11-12H;2-10,12-13H;3-13H,2H3;2-12H/t26-;;;;;/m1...../s1
InChIKeyFLWYZDTUSFZUEJ-QSQMUHTISA-N
XLogP31.36
TPSA365.54 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002332.49
LogP ≤ 531.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze [(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of [(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine (CID 158071741) is [(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for [(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for [(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine is COc1cc(NC(=O)n2ncc3cc(-c4cccnc4-c4ccc(F)c(C)c4)ccc32)cc(OC)c1OC.Cc1cc(-c2ncccc2-c2ccc3c(cnn3C(=O)OC[C@H](N)CC3=CCc4ccccc43)c2)ccc1F.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C#N)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)cc3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C#N)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(OC)c3)cn12.
What is the InChIKey of [(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is FLWYZDTUSFZUEJ-QSQMUHTISA-N. The full InChI is InChI=1S/C32H27FN4O2.C29H25FN4O4.C20H10FN5.C20H11N5.C20H14N4O.C19H11FN4/c1-20-15-24(10-12-29(20)33)31-28(7-4-14-35-31)22-11-13-30-25(16-22)18-36-37(30)32(38)39-19-26(34)17-23-9-8-21-5-2-3-6-27(21)23;1-17-12-19(7-9-23(17)30)27-22(6-5-11-31-27)18-8-10-24-20(13-18)16-32-34(24)29(35)33-21-14-25(36-2)28(38-4)26(15-21)37-3;1-23-19-11-25-18-7-5-14(12-26(18)19)16-3-2-8-24-20(16)13-4-6-17(21)15(9-13)10-22;1-22-19-12-24-18-8-7-16(13-25(18)19)17-6-3-9-23-20(17)15-5-2-4-14(10-15)11-21;1-21-19-12-23-18-9-8-15(13-24(18)19)17-7-4-10-22-20(17)14-5-3-6-16(11-14)25-2;1-21-18-11-23-17-9-6-14(12-24(17)18)16-3-2-10-22-19(16)13-4-7-15(20)8-5-13/h2-7,9-16,18,26H,8,17,19,34H2,1H3;5-16H,1-4H3,(H,33,35);2-9,11-12H;2-10,12-13H;3-13H,2H3;2-12H/t26-;;;;;/m1...../s1.
What are the key properties of [(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine?
[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 2332.49 g/mol, XLogP of 31.36, 21 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-(3H-inden-1-yl)propyl] 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxylate;2-fluoro-5-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-[3-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]benzonitrile;3-isocyano-6-[2-(3-methoxyphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 158071741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).