N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide

C112H102F8N20O9S2 — CID 161125260

About N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide (PubChem CID 161125260) has the molecular formula C112H102F8N20O9S2 and a molecular weight of 2088.30 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide
• PubChem CID: 161125260
• Molecular Formula: C112H102F8N20O9S2
• Molecular Weight: 2088.30 g/mol
• Exact Mass: 2086.75
• IUPAC Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide
• SMILES: CSCCNC(=O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1C.CSCCNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.C[C@H](NC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F)C(N)=O.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCC1CC1.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@@H](C)C(N)=O.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@H](CO)c1ccccc1
• InChI: InChI=1S/C23H20FN3O2.C19H18FN3O.C18H17FN4O2.C18H18FN3OS.C17H14F2N4O2.C17H15F2N3OS/c1-14-10-20-19(22(27-26-20)16-8-5-9-17(24)11-16)12-18(14)23(29)25-21(13-28)15-6-3-2-4-7-15;1-11-7-17-16(9-15(11)19(24)21-10-12-5-6-12)18(23-22-17)13-3-2-4-14(20)8-13;1-9-6-15-14(8-13(9)18(25)21-10(2)17(20)24)16(23-22-15)11-4-3-5-12(19)7-11;1-11-8-16-15(10-14(11)18(23)20-6-7-24-2)17(22-21-16)12-4-3-5-13(19)9-12;1-8(16(20)24)21-17(25)11-5-6-12-13(14(11)19)15(23-22-12)9-3-2-4-10(18)7-9;1-24-8-7-20-17(23)12-5-6-13-14(15(12)19)16(22-21-13)10-3-2-4-11(18)9-10/h2-12,21,28H,13H2,1H3,(H,25,29)(H,26,27);2-4,7-9,12H,5-6,10H2,1H3,(H,21,24)(H,22,23);3-8,10H,1-2H3,(H2,20,24)(H,21,25)(H,22,23);3-5,8-10H,6-7H2,1-2H3,(H,20,23)(H,21,22);2-8H,1H3,(H2,20,24)(H,21,25)(H,22,23);2-6,9H,7-8H2,1H3,(H,20,23)(H,21,22)/t21-;;10-;;8-;/m1.0.0./s1
• InChIKey: ULMBYLKQSZAUAU-WTVKAAFVSA-N
• XLogP: 19.72
• TPSA: 453.09 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 17
• Rotatable Bonds: 27
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.30
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide?

The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide (CID 161125260) is N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide.

What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide?

The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide is CSCCNC(=O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1C.CSCCNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.C[C@H](NC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F)C(N)=O.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCC1CC1.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@@H](C)C(N)=O.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@H](CO)c1ccccc1.

What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide?

The InChIKey is ULMBYLKQSZAUAU-WTVKAAFVSA-N. The full InChI is InChI=1S/C23H20FN3O2.C19H18FN3O.C18H17FN4O2.C18H18FN3OS.C17H14F2N4O2.C17H15F2N3OS/c1-14-10-20-19(22(27-26-20)16-8-5-9-17(24)11-16)12-18(14)23(29)25-21(13-28)15-6-3-2-4-7-15;1-11-7-17-16(9-15(11)19(24)21-10-12-5-6-12)18(23-22-17)13-3-2-4-14(20)8-13;1-9-6-15-14(8-13(9)18(25)21-10(2)17(20)24)16(23-22-15)11-4-3-5-12(19)7-11;1-11-8-16-15(10-14(11)18(23)20-6-7-24-2)17(22-21-16)12-4-3-5-13(19)9-12;1-8(16(20)24)21-17(25)11-5-6-12-13(14(11)19)15(23-22-12)9-3-2-4-10(18)7-9;1-24-8-7-20-17(23)12-5-6-13-14(15(12)19)16(22-21-13)10-3-2-4-11(18)9-10/h2-12,21,28H,13H2,1H3,(H,25,29)(H,26,27);2-4,7-9,12H,5-6,10H2,1H3,(H,21,24)(H,22,23);3-8,10H,1-2H3,(H2,20,24)(H,21,25)(H,22,23);3-5,8-10H,6-7H2,1-2H3,(H,20,23)(H,21,22);2-8H,1H3,(H2,20,24)(H,21,25)(H,22,23);2-6,9H,7-8H2,1H3,(H,20,23)(H,21,22)/t21-;;10-;;8-;/m1.0.0./s1.

What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide?

N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide has a molecular weight of 2088.30 g/mol, XLogP of 19.72, 27 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 161125260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).