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

C109H101F5N16O14 — CID 159110978

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12.COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12
InChIInChI=1S/C25H22FN3O3.C22H18FN3O3.C22H24FN3O3.C20H19FN4O3.C20H18FN3O2/c1-32-24-19(25(31)27-22(15-30)17-7-3-2-4-8-17)11-13-21-23(24)20(28-29-21)12-10-16-6-5-9-18(26)14-16;1-28-21-17(22(27)24-13-16-6-3-11-29-16)8-10-19-20(21)18(25-26-19)9-7-14-4-2-5-15(23)12-14;1-13(2)19(12-27)24-22(28)16-8-10-18-20(21(16)29-3)17(25-26-18)9-7-14-5-4-6-15(23)11-14;1-11(19(22)26)23-20(27)14-7-9-16-17(18(14)28-2)15(24-25-16)8-6-12-4-3-5-13(21)10-12;1-26-19-15(20(25)22-14-6-7-14)8-10-17-18(19)16(23-24-17)9-5-12-3-2-4-13(21)11-12/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);3-11H,1-2H3,(H2,22,26)(H,23,27)(H,24,25);2-5,8-11,14H,6-7H2,1H3,(H,22,25)(H,23,24)/b12-10+;2*9-7+;8-6+;9-5+/t22-;;19-;11-;/m1.10./s1
InChIKeyKEMGQVMZBLVODO-YHTUTWFBSA-N
MW1954.09 g/mol
LogP18.63
Rot. Bonds31

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

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide (PubChem CID 159110978) has the molecular formula C109H101F5N16O14 and a molecular weight of 1954.09 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
PubChem CID159110978
Molecular FormulaC109H101F5N16O14
Molecular Weight1954.09 g/mol
Exact Mass1952.76
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12.COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12
InChIInChI=1S/C25H22FN3O3.C22H18FN3O3.C22H24FN3O3.C20H19FN4O3.C20H18FN3O2/c1-32-24-19(25(31)27-22(15-30)17-7-3-2-4-8-17)11-13-21-23(24)20(28-29-21)12-10-16-6-5-9-18(26)14-16;1-28-21-17(22(27)24-13-16-6-3-11-29-16)8-10-19-20(21)18(25-26-19)9-7-14-4-2-5-15(23)12-14;1-13(2)19(12-27)24-22(28)16-8-10-18-20(21(16)29-3)17(25-26-18)9-7-14-5-4-6-15(23)11-14;1-11(19(22)26)23-20(27)14-7-9-16-17(18(14)28-2)15(24-25-16)8-6-12-4-3-5-13(21)10-12;1-26-19-15(20(25)22-14-6-7-14)8-10-17-18(19)16(23-24-17)9-5-12-3-2-4-13(21)11-12/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);3-11H,1-2H3,(H2,22,26)(H,23,27)(H,24,25);2-5,8-11,14H,6-7H2,1H3,(H,22,25)(H,23,24)/b12-10+;2*9-7+;8-6+;9-5+/t22-;;19-;11-;/m1.10./s1
InChIKeyKEMGQVMZBLVODO-YHTUTWFBSA-N
XLogP18.63
TPSA431.74 Ų
H-Bond Donors13
H-Bond Acceptors19
Rotatable Bonds31
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001954.09
LogP ≤ 518.63
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1019

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589703
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide
CID 23589705
3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 57584849
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 59796962
3-[(E)-2-(2-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 59796995
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-1H-indazole-5-carboxamide
CID 60034626
4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034651
N-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034804
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 60034844
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]-1H-indazole-5-carboxamide
CID 60034943
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 60035106
3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 60053836

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide (CID 159110978) is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide is COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12.COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccc(F)c3)c12.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide?
The InChIKey is KEMGQVMZBLVODO-YHTUTWFBSA-N. The full InChI is InChI=1S/C25H22FN3O3.C22H18FN3O3.C22H24FN3O3.C20H19FN4O3.C20H18FN3O2/c1-32-24-19(25(31)27-22(15-30)17-7-3-2-4-8-17)11-13-21-23(24)20(28-29-21)12-10-16-6-5-9-18(26)14-16;1-28-21-17(22(27)24-13-16-6-3-11-29-16)8-10-19-20(21)18(25-26-19)9-7-14-4-2-5-15(23)12-14;1-13(2)19(12-27)24-22(28)16-8-10-18-20(21(16)29-3)17(25-26-18)9-7-14-5-4-6-15(23)11-14;1-11(19(22)26)23-20(27)14-7-9-16-17(18(14)28-2)15(24-25-16)8-6-12-4-3-5-13(21)10-12;1-26-19-15(20(25)22-14-6-7-14)8-10-17-18(19)16(23-24-17)9-5-12-3-2-4-13(21)11-12/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);3-11H,1-2H3,(H2,22,26)(H,23,27)(H,24,25);2-5,8-11,14H,6-7H2,1H3,(H,22,25)(H,23,24)/b12-10+;2*9-7+;8-6+;9-5+/t22-;;19-;11-;/m1.10./s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide has a molecular weight of 1954.09 g/mol, XLogP of 18.63, 31 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide is sourced from PubChem (CID 159110978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).