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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide

C108H102F8N20O9S2 — CID 160794181

IUPACN-[(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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide
SMILESCCOCCNC(=O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1C.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
InChIInChI=1S/C19H20FN3O2.C19H18FN3O.C18H17FN4O2.C18H18FN3OS.C17H14F2N4O2.C17H15F2N3OS/c1-3-25-8-7-21-19(24)15-11-16-17(9-12(15)2)22-23-18(16)13-5-4-6-14(20)10-13;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/h4-6,9-11H,3,7-8H2,1-2H3,(H,21,24)(H,22,23);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)/t;;10-;;8-;/m..0.0./s1
InChIKeySCFIDTJWHSZFFY-VUXCNSESSA-N
MW2040.25 g/mol
LogP19.02
Rot. Bonds28

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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide (PubChem CID 160794181) has the molecular formula C108H102F8N20O9S2 and a molecular weight of 2040.25 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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide
PubChem CID160794181
Molecular FormulaC108H102F8N20O9S2
Molecular Weight2040.25 g/mol
Exact Mass2038.75
IUPAC NameN-[(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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide
SMILESCCOCCNC(=O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1C.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
InChIInChI=1S/C19H20FN3O2.C19H18FN3O.C18H17FN4O2.C18H18FN3OS.C17H14F2N4O2.C17H15F2N3OS/c1-3-25-8-7-21-19(24)15-11-16-17(9-12(15)2)22-23-18(16)13-5-4-6-14(20)10-13;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/h4-6,9-11H,3,7-8H2,1-2H3,(H,21,24)(H,22,23);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)/t;;10-;;8-;/m..0.0./s1
InChIKeySCFIDTJWHSZFFY-VUXCNSESSA-N
XLogP19.02
TPSA442.09 Ų
H-Bond Donors14
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002040.25
LogP ≤ 519.02
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide with MolForge

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Related Compounds

N-[2-[[6-methyl-3-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethenyl]-1H-indazol-5-yl]amino]-2-oxo-1-thiophen-2-ylethyl]-N-[6-methyl-3-[2-[3-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-5-yl]-3-[2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]ethenyl]-2-thiophen-2-ylbenzamide
CID 87873696
N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
CID 157553625
N-cyclopropyl-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-(2-methylsulfanylethyl)-3-naphthalen-2-yl-2H-indazole-5-carboxamide
CID 158267317
N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)cyclopropanecarboxamide;(2S)-N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;(2R)-N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-2-thiophen-3-ylacetamide
CID 159278346
N-(2-ethoxyethyl)-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 159411862
N-(1,3-dihydroxypropan-2-yl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
CID 159652541
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
7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
CID 161424394
N-(2-acetamidoethyl)-3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 161803344
N-(2-ethoxyethyl)-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 161819895
N-(1,3-dihydroxypropan-2-yl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
CID 161887708

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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide (CID 160794181) 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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide is CCOCCNC(=O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1C.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.
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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide?
The InChIKey is SCFIDTJWHSZFFY-VUXCNSESSA-N. The full InChI is InChI=1S/C19H20FN3O2.C19H18FN3O.C18H17FN4O2.C18H18FN3OS.C17H14F2N4O2.C17H15F2N3OS/c1-3-25-8-7-21-19(24)15-11-16-17(9-12(15)2)22-23-18(16)13-5-4-6-14(20)10-13;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/h4-6,9-11H,3,7-8H2,1-2H3,(H,21,24)(H,22,23);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)/t;;10-;;8-;/m..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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide has a molecular weight of 2040.25 g/mol, XLogP of 19.02, 28 rotatable bonds, 14 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;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 160794181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).