N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide

C108H100F3N27O10S5 — CID 161427249

IUPACN-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide
SMILESNCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1c(F)cccc1F.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1ccccc1F.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1cccnc1.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccsc3)c2c1)c1ccccc1.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cscn3)c2c1)c1ccccc1
InChIInChI=1S/C22H19F2N5O2S.C22H20FN5O2S.C22H21N5O2S.2C21H20N6O2S/c23-15-3-1-4-16(24)19(15)13(8-9-25)21(30)26-12-6-7-17-14(11-12)20(29-28-17)27-22(31)18-5-2-10-32-18;23-17-5-2-1-4-14(17)15(9-10-24)21(29)25-13-7-8-18-16(12-13)20(28-27-18)26-22(30)19-6-3-11-31-19;23-10-8-17(14-4-2-1-3-5-14)22(29)24-16-6-7-19-18(12-16)20(27-26-19)25-21(28)15-9-11-30-13-15;22-8-7-15(13-3-1-9-23-12-13)20(28)24-14-5-6-17-16(11-14)19(27-26-17)25-21(29)18-4-2-10-30-18;22-9-8-15(13-4-2-1-3-5-13)20(28)24-14-6-7-17-16(10-14)19(27-26-17)25-21(29)18-11-30-12-23-18/h1-7,10-11,13H,8-9,25H2,(H,26,30)(H2,27,28,29,31);1-8,11-12,15H,9-10,24H2,(H,25,29)(H2,26,27,28,30);1-7,9,11-13,17H,8,10,23H2,(H,24,29)(H2,25,26,27,28);1-6,9-12,15H,7-8,22H2,(H,24,28)(H2,25,26,27,29);1-7,10-12,15H,8-9,22H2,(H,24,28)(H2,25,26,27,29)
InChIKeyVXNIBJOYZXFDIZ-UHFFFAOYSA-N
MW2153.50 g/mol
LogP18.95
Rot. Bonds35

About N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide

N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide (PubChem CID 161427249) has the molecular formula C108H100F3N27O10S5 and a molecular weight of 2153.50 g/mol. Its IUPAC name is N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide
PubChem CID161427249
Molecular FormulaC108H100F3N27O10S5
Molecular Weight2153.50 g/mol
Exact Mass2151.67
IUPAC NameN-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide
SMILESNCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1c(F)cccc1F.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1ccccc1F.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1cccnc1.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccsc3)c2c1)c1ccccc1.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cscn3)c2c1)c1ccccc1
InChIInChI=1S/C22H19F2N5O2S.C22H20FN5O2S.C22H21N5O2S.2C21H20N6O2S/c23-15-3-1-4-16(24)19(15)13(8-9-25)21(30)26-12-6-7-17-14(11-12)20(29-28-17)27-22(31)18-5-2-10-32-18;23-17-5-2-1-4-14(17)15(9-10-24)21(29)25-13-7-8-18-16(12-13)20(28-27-18)26-22(30)19-6-3-11-31-19;23-10-8-17(14-4-2-1-3-5-14)22(29)24-16-6-7-19-18(12-16)20(27-26-19)25-21(28)15-9-11-30-13-15;22-8-7-15(13-3-1-9-23-12-13)20(28)24-14-5-6-17-16(11-14)19(27-26-17)25-21(29)18-4-2-10-30-18;22-9-8-15(13-4-2-1-3-5-13)20(28)24-14-6-7-17-16(10-14)19(27-26-17)25-21(29)18-11-30-12-23-18/h1-7,10-11,13H,8-9,25H2,(H,26,30)(H2,27,28,29,31);1-8,11-12,15H,9-10,24H2,(H,25,29)(H2,26,27,28,30);1-7,9,11-13,17H,8,10,23H2,(H,24,29)(H2,25,26,27,28);1-6,9-12,15H,7-8,22H2,(H,24,28)(H2,25,26,27,29);1-7,10-12,15H,8-9,22H2,(H,24,28)(H2,25,26,27,29)
InChIKeyVXNIBJOYZXFDIZ-UHFFFAOYSA-N
XLogP18.95
TPSA590.28 Ų
H-Bond Donors20
H-Bond Acceptors27
Rotatable Bonds35
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002153.50
LogP ≤ 518.95
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1027

Analyze N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide (CID 161427249) is N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide is NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1c(F)cccc1F.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1ccccc1F.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1cccnc1.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccsc3)c2c1)c1ccccc1.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cscn3)c2c1)c1ccccc1.
What is the InChIKey of N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide?
The InChIKey is VXNIBJOYZXFDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2S.C22H20FN5O2S.C22H21N5O2S.2C21H20N6O2S/c23-15-3-1-4-16(24)19(15)13(8-9-25)21(30)26-12-6-7-17-14(11-12)20(29-28-17)27-22(31)18-5-2-10-32-18;23-17-5-2-1-4-14(17)15(9-10-24)21(29)25-13-7-8-18-16(12-13)20(28-27-18)26-22(30)19-6-3-11-31-19;23-10-8-17(14-4-2-1-3-5-14)22(29)24-16-6-7-19-18(12-16)20(27-26-19)25-21(28)15-9-11-30-13-15;22-8-7-15(13-3-1-9-23-12-13)20(28)24-14-5-6-17-16(11-14)19(27-26-17)25-21(29)18-4-2-10-30-18;22-9-8-15(13-4-2-1-3-5-13)20(28)24-14-6-7-17-16(10-14)19(27-26-17)25-21(29)18-11-30-12-23-18/h1-7,10-11,13H,8-9,25H2,(H,26,30)(H2,27,28,29,31);1-8,11-12,15H,9-10,24H2,(H,25,29)(H2,26,27,28,30);1-7,9,11-13,17H,8,10,23H2,(H,24,29)(H2,25,26,27,28);1-6,9-12,15H,7-8,22H2,(H,24,28)(H2,25,26,27,29);1-7,10-12,15H,8-9,22H2,(H,24,28)(H2,25,26,27,29).
What are the key properties of N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide?
N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide has a molecular weight of 2153.50 g/mol, XLogP of 18.95, 35 rotatable bonds, 20 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 161427249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).