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

C97H94F4N16O15 — CID 157436271

IUPAC4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCC(N)=O.NC(=O)CCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.NC(=O)CCOc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.NC(=O)CCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C27H25FN4O4.C24H21FN4O4.C24H27FN4O4.C22H21FN4O3/c28-19-9-6-17(7-10-19)8-12-21-25-22(32-31-21)13-11-20(26(25)36-15-14-24(29)34)27(35)30-23(16-33)18-4-2-1-3-5-18;25-16-6-3-15(4-7-16)5-9-19-22-20(29-28-19)10-8-18(23(22)33-13-11-21(26)30)24(31)27-14-17-2-1-12-32-17;1-14(2)20(13-30)27-24(32)17-8-10-19-22(23(17)33-12-11-21(26)31)18(28-29-19)9-5-15-3-6-16(25)7-4-15;23-14-4-1-13(2-5-14)3-9-17-20-18(27-26-17)10-8-16(22(29)25-15-6-7-15)21(20)30-12-11-19(24)28/h1-13,23,33H,14-16H2,(H2,29,34)(H,30,35)(H,31,32);1-10,12H,11,13-14H2,(H2,26,30)(H,27,31)(H,28,29);3-10,14,20,30H,11-13H2,1-2H3,(H2,26,31)(H,27,32)(H,28,29);1-5,8-10,15H,6-7,11-12H2,(H2,24,28)(H,25,29)(H,26,27)/b12-8+;2*9-5+;9-3+/t23-;;20-;/m1.1./s1
InChIKeyBRDHNMMBOPDHOI-AFQHCZQISA-N
MW1799.91 g/mol
LogP13.13
Rot. Bonds37

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

4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide (PubChem CID 157436271) has the molecular formula C97H94F4N16O15 and a molecular weight of 1799.91 g/mol. Its IUPAC name is 4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide
PubChem CID157436271
Molecular FormulaC97H94F4N16O15
Molecular Weight1799.91 g/mol
Exact Mass1798.70
IUPAC Name4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCC(N)=O.NC(=O)CCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.NC(=O)CCOc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.NC(=O)CCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C27H25FN4O4.C24H21FN4O4.C24H27FN4O4.C22H21FN4O3/c28-19-9-6-17(7-10-19)8-12-21-25-22(32-31-21)13-11-20(26(25)36-15-14-24(29)34)27(35)30-23(16-33)18-4-2-1-3-5-18;25-16-6-3-15(4-7-16)5-9-19-22-20(29-28-19)10-8-18(23(22)33-13-11-21(26)30)24(31)27-14-17-2-1-12-32-17;1-14(2)20(13-30)27-24(32)17-8-10-19-22(23(17)33-12-11-21(26)31)18(28-29-19)9-5-15-3-6-16(25)7-4-15;23-14-4-1-13(2-5-14)3-9-17-20-18(27-26-17)10-8-16(22(29)25-15-6-7-15)21(20)30-12-11-19(24)28/h1-13,23,33H,14-16H2,(H2,29,34)(H,30,35)(H,31,32);1-10,12H,11,13-14H2,(H2,26,30)(H,27,31)(H,28,29);3-10,14,20,30H,11-13H2,1-2H3,(H2,26,31)(H,27,32)(H,28,29);1-5,8-10,15H,6-7,11-12H2,(H2,24,28)(H,25,29)(H,26,27)/b12-8+;2*9-5+;9-3+/t23-;;20-;/m1.1./s1
InChIKeyBRDHNMMBOPDHOI-AFQHCZQISA-N
XLogP13.13
TPSA494.00 Ų
H-Bond Donors14
H-Bond Acceptors19
Rotatable Bonds37
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001799.91
LogP ≤ 513.13
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1019

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

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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
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[[5-(hydroxymethyl)furan-2-yl]methyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034751
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-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide
CID 60034859
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide?
The IUPAC name of 4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide (CID 157436271) is 4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide is CC(C)[C@@H](CO)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCC(N)=O.NC(=O)CCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.NC(=O)CCOc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.NC(=O)CCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.
What is the InChIKey of 4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide?
The InChIKey is BRDHNMMBOPDHOI-AFQHCZQISA-N. The full InChI is InChI=1S/C27H25FN4O4.C24H21FN4O4.C24H27FN4O4.C22H21FN4O3/c28-19-9-6-17(7-10-19)8-12-21-25-22(32-31-21)13-11-20(26(25)36-15-14-24(29)34)27(35)30-23(16-33)18-4-2-1-3-5-18;25-16-6-3-15(4-7-16)5-9-19-22-20(29-28-19)10-8-18(23(22)33-13-11-21(26)30)24(31)27-14-17-2-1-12-32-17;1-14(2)20(13-30)27-24(32)17-8-10-19-22(23(17)33-12-11-21(26)31)18(28-29-19)9-5-15-3-6-16(25)7-4-15;23-14-4-1-13(2-5-14)3-9-17-20-18(27-26-17)10-8-16(22(29)25-15-6-7-15)21(20)30-12-11-19(24)28/h1-13,23,33H,14-16H2,(H2,29,34)(H,30,35)(H,31,32);1-10,12H,11,13-14H2,(H2,26,30)(H,27,31)(H,28,29);3-10,14,20,30H,11-13H2,1-2H3,(H2,26,31)(H,27,32)(H,28,29);1-5,8-10,15H,6-7,11-12H2,(H2,24,28)(H,25,29)(H,26,27)/b12-8+;2*9-5+;9-3+/t23-;;20-;/m1.1./s1.
What are the key properties of 4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide?
4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide has a molecular weight of 1799.91 g/mol, XLogP of 13.13, 37 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 157436271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).