N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide

C100H80F12N18O9 — CID 160985328

IUPACN-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide
SMILESCCc1cc(-c2ccc(C(=O)Nc3c(F)cccc3F)cc2F)n(CC)n1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)c2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc4nccn4c3)c([N+](=O)[O-])c2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cn4ccnc4cc3C)c([N+](=O)[O-])c2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1F
InChIInChI=1S/C22H18N4O3.C21H16N4O3.C20H18F3N3O.C19H17F3N4O.C18H11F6N3O/c1-14-3-5-16(6-4-14)22(27)24-17-7-8-18(20(12-17)26(28)29)19-13-25-10-9-23-21(25)11-15(19)2;1-14-2-4-15(5-3-14)21(26)23-17-7-8-18(19(12-17)25(27)28)16-6-9-20-22-10-11-24(20)13-16;1-3-13-11-18(26(4-2)25-13)14-9-8-12(10-17(14)23)20(27)24-19-15(21)6-5-7-16(19)22;1-11-3-5-12(6-4-11)18(27)24-13-7-8-14(15(23)9-13)16-10-17(19(20,21)22)25-26(16)2;1-27-14(8-15(26-27)18(22,23)24)10-6-5-9(7-13(10)21)17(28)25-16-11(19)3-2-4-12(16)20/h3-13H,1-2H3,(H,24,27);2-13H,1H3,(H,23,26);5-11H,3-4H2,1-2H3,(H,24,27);3-10H,23H2,1-2H3,(H,24,27);2-8H,1H3,(H,25,28)
InChIKeyTTWXVICRCFXEDT-UHFFFAOYSA-N
MW1905.83 g/mol
LogP23.08
Rot. Bonds19

About N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide

N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide (PubChem CID 160985328) has the molecular formula C100H80F12N18O9 and a molecular weight of 1905.83 g/mol. Its IUPAC name is N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide.

Molecular Properties

Compound NameN-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide
PubChem CID160985328
Molecular FormulaC100H80F12N18O9
Molecular Weight1905.83 g/mol
Exact Mass1904.62
IUPAC NameN-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide
SMILESCCc1cc(-c2ccc(C(=O)Nc3c(F)cccc3F)cc2F)n(CC)n1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)c2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc4nccn4c3)c([N+](=O)[O-])c2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cn4ccnc4cc3C)c([N+](=O)[O-])c2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1F
InChIInChI=1S/C22H18N4O3.C21H16N4O3.C20H18F3N3O.C19H17F3N4O.C18H11F6N3O/c1-14-3-5-16(6-4-14)22(27)24-17-7-8-18(20(12-17)26(28)29)19-13-25-10-9-23-21(25)11-15(19)2;1-14-2-4-15(5-3-14)21(26)23-17-7-8-18(19(12-17)25(27)28)16-6-9-20-22-10-11-24(20)13-16;1-3-13-11-18(26(4-2)25-13)14-9-8-12(10-17(14)23)20(27)24-19-15(21)6-5-7-16(19)22;1-11-3-5-12(6-4-11)18(27)24-13-7-8-14(15(23)9-13)16-10-17(19(20,21)22)25-26(16)2;1-27-14(8-15(26-27)18(22,23)24)10-6-5-9(7-13(10)21)17(28)25-16-11(19)3-2-4-12(16)20/h3-13H,1-2H3,(H,24,27);2-13H,1H3,(H,23,26);5-11H,3-4H2,1-2H3,(H,24,27);3-10H,23H2,1-2H3,(H,24,27);2-8H,1H3,(H,25,28)
InChIKeyTTWXVICRCFXEDT-UHFFFAOYSA-N
XLogP23.08
TPSA345.86 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001905.83
LogP ≤ 523.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide with MolForge

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Related Compounds

N-(5-ethenyl-2-pyridinyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537306
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537319
2-fluoro-N-(2-phenylpropan-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537321
2-fluoro-N-[2-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537331
2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537335
2-fluoro-N-[3-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537340
2-fluoro-N-(4-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537345
N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537705
N-(2,4-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537707
N-(5-ethyl-2-pyridinyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537764
N1-[3-(acetylamino)propyl]-4-(6-[3-(4-fluorophenyl)-1-trityl-1H-4-pyrazolyl]imidazo[1,2-a]pyridin-3-yl}benzamide
CID 68811949
2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 68812123

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide?
The IUPAC name of N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide (CID 160985328) is N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide.
What is the SMILES notation for N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide?
The canonical SMILES for N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide is CCc1cc(-c2ccc(C(=O)Nc3c(F)cccc3F)cc2F)n(CC)n1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)c2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc4nccn4c3)c([N+](=O)[O-])c2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cn4ccnc4cc3C)c([N+](=O)[O-])c2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1F.
What is the InChIKey of N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide?
The InChIKey is TTWXVICRCFXEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3.C21H16N4O3.C20H18F3N3O.C19H17F3N4O.C18H11F6N3O/c1-14-3-5-16(6-4-14)22(27)24-17-7-8-18(20(12-17)26(28)29)19-13-25-10-9-23-21(25)11-15(19)2;1-14-2-4-15(5-3-14)21(26)23-17-7-8-18(19(12-17)25(27)28)16-6-9-20-22-10-11-24(20)13-16;1-3-13-11-18(26(4-2)25-13)14-9-8-12(10-17(14)23)20(27)24-19-15(21)6-5-7-16(19)22;1-11-3-5-12(6-4-11)18(27)24-13-7-8-14(15(23)9-13)16-10-17(19(20,21)22)25-26(16)2;1-27-14(8-15(26-27)18(22,23)24)10-6-5-9(7-13(10)21)17(28)25-16-11(19)3-2-4-12(16)20/h3-13H,1-2H3,(H,24,27);2-13H,1H3,(H,23,26);5-11H,3-4H2,1-2H3,(H,24,27);3-10H,23H2,1-2H3,(H,24,27);2-8H,1H3,(H,25,28).
What are the key properties of N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide?
N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide has a molecular weight of 1905.83 g/mol, XLogP of 23.08, 19 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(4-imidazo[1,2-a]pyridin-6-yl-3-nitrophenyl)-4-methylbenzamide;4-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-nitrophenyl]benzamide is sourced from PubChem (CID 160985328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).