N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid

C106H95F5N14O14 — CID 159586271

IUPACN-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C25H22FN3O3.C22H18FN3O3.C22H24FN3O3.C20H18FN3O2.C17H13FN2O3/c1-32-24-19(25(31)27-22(15-30)17-5-3-2-4-6-17)12-14-21-23(24)20(28-29-21)13-9-16-7-10-18(26)11-8-16;1-28-21-17(22(27)24-13-16-3-2-12-29-16)9-11-19-20(21)18(25-26-19)10-6-14-4-7-15(23)8-5-14;1-13(2)19(12-27)24-22(28)16-9-11-18-20(21(16)29-3)17(25-26-18)10-6-14-4-7-15(23)8-5-14;1-26-19-15(20(25)22-14-7-8-14)9-11-17-18(19)16(23-24-17)10-4-12-2-5-13(21)6-3-12;1-23-16-12(17(21)22)7-9-14-15(16)13(19-20-14)8-4-10-2-5-11(18)6-3-10/h2-14,22,30H,15H2,1H3,(H,27,31)(H,28,29);2-12H,13H2,1H3,(H,24,27)(H,25,26);4-11,13,19,27H,12H2,1-3H3,(H,24,28)(H,25,26);2-6,9-11,14H,7-8H2,1H3,(H,22,25)(H,23,24);2-9H,1H3,(H,19,20)(H,21,22)/b13-9+;2*10-6+;10-4+;8-4+/t22-;;19-;;/m1.1../s1
InChIKeyMJQRBIBSLAUIGL-VCEXSHBUSA-N
MW1884.00 g/mol
LogP19.73
Rot. Bonds29

About N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid

N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid (PubChem CID 159586271) has the molecular formula C106H95F5N14O14 and a molecular weight of 1884.00 g/mol. Its IUPAC name is N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound NameN-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid
PubChem CID159586271
Molecular FormulaC106H95F5N14O14
Molecular Weight1884.00 g/mol
Exact Mass1882.71
IUPAC NameN-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C25H22FN3O3.C22H18FN3O3.C22H24FN3O3.C20H18FN3O2.C17H13FN2O3/c1-32-24-19(25(31)27-22(15-30)17-5-3-2-4-6-17)12-14-21-23(24)20(28-29-21)13-9-16-7-10-18(26)11-8-16;1-28-21-17(22(27)24-13-16-3-2-12-29-16)9-11-19-20(21)18(25-26-19)10-6-14-4-7-15(23)8-5-14;1-13(2)19(12-27)24-22(28)16-9-11-18-20(21(16)29-3)17(25-26-18)10-6-14-4-7-15(23)8-5-14;1-26-19-15(20(25)22-14-7-8-14)9-11-17-18(19)16(23-24-17)10-4-12-2-5-13(21)6-3-12;1-23-16-12(17(21)22)7-9-14-15(16)13(19-20-14)8-4-10-2-5-11(18)6-3-10/h2-14,22,30H,15H2,1H3,(H,27,31)(H,28,29);2-12H,13H2,1H3,(H,24,27)(H,25,26);4-11,13,19,27H,12H2,1-3H3,(H,24,28)(H,25,26);2-6,9-11,14H,7-8H2,1H3,(H,22,25)(H,23,24);2-9H,1H3,(H,19,20)(H,21,22)/b13-9+;2*10-6+;10-4+;8-4+/t22-;;19-;;/m1.1../s1
InChIKeyMJQRBIBSLAUIGL-VCEXSHBUSA-N
XLogP19.73
TPSA396.85 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001884.00
LogP ≤ 519.73
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid?
The IUPAC name of N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid (CID 159586271) is N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid.
What is the SMILES notation for N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid?
The canonical SMILES for N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid is COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.
What is the InChIKey of N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid?
The InChIKey is MJQRBIBSLAUIGL-VCEXSHBUSA-N. The full InChI is InChI=1S/C25H22FN3O3.C22H18FN3O3.C22H24FN3O3.C20H18FN3O2.C17H13FN2O3/c1-32-24-19(25(31)27-22(15-30)17-5-3-2-4-6-17)12-14-21-23(24)20(28-29-21)13-9-16-7-10-18(26)11-8-16;1-28-21-17(22(27)24-13-16-3-2-12-29-16)9-11-19-20(21)18(25-26-19)10-6-14-4-7-15(23)8-5-14;1-13(2)19(12-27)24-22(28)16-9-11-18-20(21(16)29-3)17(25-26-18)10-6-14-4-7-15(23)8-5-14;1-26-19-15(20(25)22-14-7-8-14)9-11-17-18(19)16(23-24-17)10-4-12-2-5-13(21)6-3-12;1-23-16-12(17(21)22)7-9-14-15(16)13(19-20-14)8-4-10-2-5-11(18)6-3-10/h2-14,22,30H,15H2,1H3,(H,27,31)(H,28,29);2-12H,13H2,1H3,(H,24,27)(H,25,26);4-11,13,19,27H,12H2,1-3H3,(H,24,28)(H,25,26);2-6,9-11,14H,7-8H2,1H3,(H,22,25)(H,23,24);2-9H,1H3,(H,19,20)(H,21,22)/b13-9+;2*10-6+;10-4+;8-4+/t22-;;19-;;/m1.1../s1.
What are the key properties of N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid?
N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid has a molecular weight of 1884.00 g/mol, XLogP of 19.73, 29 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 159586271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).