3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide

C124H102F12N26O4S3 — CID 159061967

About 3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide

3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 159061967) has the molecular formula C124H102F12N26O4S3 and a molecular weight of 2344.53 g/mol. Its IUPAC name is 3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 159061967
• Molecular Formula: C124H102F12N26O4S3
• Molecular Weight: 2344.53 g/mol
• Exact Mass: 2342.75
• IUPAC Name: 3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
• SMILES: [C-]#[N+]c1c(-c2c[nH]c3c(F)cc(F)cc23)nc(NC2CCCC(NC(=O)c3cn(C)nc3N)C2)c(F)c1-c1ccccc1.[C-]#[N+]c1c(-c2c[nH]c3c(F)cc(F)cc23)nc(NC2CCCC(NC(=O)c3csc(C)n3)C2)c(F)c1-c1ccccc1.[C-]#[N+]c1c(-c2c[nH]c3c(F)cc(F)cc23)nc(N[C@@H]2CCC[C@H](NC(=O)c3csc(C)n3)C2)c(F)c1-c1ccccc1.[C-]#[N+]c1c(-c2c[nH]c3c(F)cc(F)cc23)nc(N[C@H]2CCC[C@@H](NC(=O)c3csc(C)n3)C2)c(F)c1-c1ccccc1
• InChI: InChI=1S/C31H27F3N8O.3C31H25F3N6OS/c1-36-28-24(16-7-4-3-5-8-16)25(34)30(40-27(28)21-14-37-26-20(21)11-17(32)12-23(26)33)38-18-9-6-10-19(13-18)39-31(43)22-15-42(2)41-29(22)35;3*1-16-37-24(15-42-16)31(41)39-20-10-6-9-19(13-20)38-30-26(34)25(17-7-4-3-5-8-17)29(35-2)28(40-30)22-14-36-27-21(22)11-18(32)12-23(27)33/h3-5,7-8,11-12,14-15,18-19,37H,6,9-10,13H2,2H3,(H2,35,41)(H,38,40)(H,39,43);3*3-5,7-8,11-12,14-15,19-20,36H,6,9-10,13H2,1H3,(H,38,40)(H,39,41)/t;2*19-,20+;/m.10./s1
• InChIKey: JYOWNKKDSQUBEA-CMCZIGHQSA-N
• XLogP: 29.68
• TPSA: 379.19 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.53
LogP ≤ 5	29.68
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?

The IUPAC name of 3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 159061967) is 3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for 3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide is [C-]#[N+]c1c(-c2c[nH]c3c(F)cc(F)cc23)nc(NC2CCCC(NC(=O)c3cn(C)nc3N)C2)c(F)c1-c1ccccc1.[C-]#[N+]c1c(-c2c[nH]c3c(F)cc(F)cc23)nc(NC2CCCC(NC(=O)c3csc(C)n3)C2)c(F)c1-c1ccccc1.[C-]#[N+]c1c(-c2c[nH]c3c(F)cc(F)cc23)nc(N[C@@H]2CCC[C@H](NC(=O)c3csc(C)n3)C2)c(F)c1-c1ccccc1.[C-]#[N+]c1c(-c2c[nH]c3c(F)cc(F)cc23)nc(N[C@H]2CCC[C@@H](NC(=O)c3csc(C)n3)C2)c(F)c1-c1ccccc1.

What is the InChIKey of 3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?

The InChIKey is JYOWNKKDSQUBEA-CMCZIGHQSA-N. The full InChI is InChI=1S/C31H27F3N8O.3C31H25F3N6OS/c1-36-28-24(16-7-4-3-5-8-16)25(34)30(40-27(28)21-14-37-26-20(21)11-17(32)12-23(26)33)38-18-9-6-10-19(13-18)39-31(43)22-15-42(2)41-29(22)35;3*1-16-37-24(15-42-16)31(41)39-20-10-6-9-19(13-20)38-30-26(34)25(17-7-4-3-5-8-17)29(35-2)28(40-30)22-14-36-27-21(22)11-18(32)12-23(27)33/h3-5,7-8,11-12,14-15,18-19,37H,6,9-10,13H2,2H3,(H2,35,41)(H,38,40)(H,39,43);3*3-5,7-8,11-12,14-15,19-20,36H,6,9-10,13H2,1H3,(H,38,40)(H,39,41)/t;2*19-,20+;/m.10./s1.

What are the key properties of 3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?

3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 2344.53 g/mol, XLogP of 29.68, 24 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide;N-[(1R,3S)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-5-isocyano-4-phenyl-2-pyridinyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159061967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).