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

C101H82F10N16O8S — CID 158845442

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.C[C@H](NC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F)C(N)=O.O=C(NC1CC1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.O=C(NCc1ccco1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.O=C(NCc1cccs1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F
InChIInChI=1S/C21H15F2N3O2.C21H21F2N3O2.C21H15F2N3OS.C19H16F2N4O2.C19H15F2N3O/c22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15;1-12(2)18(11-27)24-21(28)15-7-9-17-19(20(15)23)16(25-26-17)8-6-13-4-3-5-14(22)10-13;22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15;1-10(18(22)26)23-19(27)13-6-8-15-16(17(13)21)14(24-25-15)7-5-11-3-2-4-12(20)9-11;20-12-3-1-2-11(10-12)4-8-15-17-16(24-23-15)9-7-14(18(17)21)19(25)22-13-5-6-13/h1-11H,12H2,(H,24,27)(H,25,26);3-10,12,18,27H,11H2,1-2H3,(H,24,28)(H,25,26);1-11H,12H2,(H,24,27)(H,25,26);2-10H,1H3,(H2,22,26)(H,23,27)(H,24,25);1-4,7-10,13H,5-6H2,(H,22,25)(H,23,24)/b3*8-6+;7-5+;8-4+/t;18-;;10-;/m.1.0./s1
InChIKeyIYTQVSDFHTWYMV-IKPNWBBSSA-N
MW1869.92 g/mol
LogP19.81
Rot. Bonds25

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

N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 158845442) has the molecular formula C101H82F10N16O8S and a molecular weight of 1869.92 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID158845442
Molecular FormulaC101H82F10N16O8S
Molecular Weight1869.92 g/mol
Exact Mass1868.61
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.C[C@H](NC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F)C(N)=O.O=C(NC1CC1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.O=C(NCc1ccco1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.O=C(NCc1cccs1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F
InChIInChI=1S/C21H15F2N3O2.C21H21F2N3O2.C21H15F2N3OS.C19H16F2N4O2.C19H15F2N3O/c22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15;1-12(2)18(11-27)24-21(28)15-7-9-17-19(20(15)23)16(25-26-17)8-6-13-4-3-5-14(22)10-13;22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15;1-10(18(22)26)23-19(27)13-6-8-15-16(17(13)21)14(24-25-15)7-5-11-3-2-4-12(20)9-11;20-12-3-1-2-11(10-12)4-8-15-17-16(24-23-15)9-7-14(18(17)21)19(25)22-13-5-6-13/h1-11H,12H2,(H,24,27)(H,25,26);3-10,12,18,27H,11H2,1-2H3,(H,24,28)(H,25,26);1-11H,12H2,(H,24,27)(H,25,26);2-10H,1H3,(H2,22,26)(H,23,27)(H,24,25);1-4,7-10,13H,5-6H2,(H,22,25)(H,23,24)/b3*8-6+;7-5+;8-4+/t;18-;;10-;/m.1.0./s1
InChIKeyIYTQVSDFHTWYMV-IKPNWBBSSA-N
XLogP19.81
TPSA365.36 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001869.92
LogP ≤ 519.81
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (CID 158845442) is N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is CC(C)[C@@H](CO)NC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.C[C@H](NC(=O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F)C(N)=O.O=C(NC1CC1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.O=C(NCc1ccco1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.O=C(NCc1cccs1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is IYTQVSDFHTWYMV-IKPNWBBSSA-N. The full InChI is InChI=1S/C21H15F2N3O2.C21H21F2N3O2.C21H15F2N3OS.C19H16F2N4O2.C19H15F2N3O/c22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15;1-12(2)18(11-27)24-21(28)15-7-9-17-19(20(15)23)16(25-26-17)8-6-13-4-3-5-14(22)10-13;22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15;1-10(18(22)26)23-19(27)13-6-8-15-16(17(13)21)14(24-25-15)7-5-11-3-2-4-12(20)9-11;20-12-3-1-2-11(10-12)4-8-15-17-16(24-23-15)9-7-14(18(17)21)19(25)22-13-5-6-13/h1-11H,12H2,(H,24,27)(H,25,26);3-10,12,18,27H,11H2,1-2H3,(H,24,28)(H,25,26);1-11H,12H2,(H,24,27)(H,25,26);2-10H,1H3,(H2,22,26)(H,23,27)(H,24,25);1-4,7-10,13H,5-6H2,(H,22,25)(H,23,24)/b3*8-6+;7-5+;8-4+/t;18-;;10-;/m.1.0./s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 1869.92 g/mol, XLogP of 19.81, 25 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 158845442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).