2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole

C123H96F25N21O12 — CID 159777869

IUPAC2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole
SMILESCC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3nn(-c4ccc(C(F)(F)F)cc4)cc3c2)c1.CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)O)c1.FC(F)(F)c1ccc(-n2cc3ccccc3n2)cc1.Nc1ccc(C(F)(F)F)cc1.Nc1ccc2nn(-c3ccc(C(F)(F)F)cc3)cc2c1.Nc1ccc2nn(-c3ccc(C(F)(F)F)cc3)cc2c1.O=Cc1ccccc1[N+](=O)[O-].O=[N+]([O-])c1ccc2nn(-c3ccc(C(F)(F)F)cc3)cc2c1.O=[N+]([O-])c1ccccc1CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H23F5N4O2.C14H8F3N3O2.2C14H10F3N3.C14H11F3N2O2.C14H9F3N2.C12H14F2N2O3.C7H6F3N.C7H5NO3/c1-15(2)26(38)34-13-17-10-21(24(25(28)29)33-12-17)23(37)11-16-3-8-22-18(9-16)14-36(35-22)20-6-4-19(5-7-20)27(30,31)32;15-14(16,17)10-1-3-11(4-2-10)19-8-9-7-12(20(21)22)5-6-13(9)18-19;2*15-14(16,17)10-1-4-12(5-2-10)20-8-9-7-11(18)3-6-13(9)19-20;15-14(16,17)11-5-7-12(8-6-11)18-9-10-3-1-2-4-13(10)19(20)21;15-14(16,17)11-5-7-12(8-6-11)19-9-10-3-1-2-4-13(10)18-19;1-6(2)11(17)16-5-7-3-8(12(18)19)9(10(13)14)15-4-7;8-7(9,10)5-1-3-6(11)4-2-5;9-5-6-3-1-2-4-7(6)8(10)11/h3-10,12,14-15,25H,11,13H2,1-2H3,(H,34,38);1-8H;2*1-8H,18H2;1-8,18H,9H2;1-9H;3-4,6,10H,5H2,1-2H3,(H,16,17)(H,18,19);1-4H,11H2;1-5H
InChIKeyNGZBFITUHLAZOJ-UHFFFAOYSA-N
MW2535.21 g/mol
LogP31.23
Rot. Bonds24

About 2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole

2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole (PubChem CID 159777869) has the molecular formula C123H96F25N21O12 and a molecular weight of 2535.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole
PubChem CID159777869
Molecular FormulaC123H96F25N21O12
Molecular Weight2535.21 g/mol
Exact Mass2533.71
IUPAC Name2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole
SMILESCC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3nn(-c4ccc(C(F)(F)F)cc4)cc3c2)c1.CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)O)c1.FC(F)(F)c1ccc(-n2cc3ccccc3n2)cc1.Nc1ccc(C(F)(F)F)cc1.Nc1ccc2nn(-c3ccc(C(F)(F)F)cc3)cc2c1.Nc1ccc2nn(-c3ccc(C(F)(F)F)cc3)cc2c1.O=Cc1ccccc1[N+](=O)[O-].O=[N+]([O-])c1ccc2nn(-c3ccc(C(F)(F)F)cc3)cc2c1.O=[N+]([O-])c1ccccc1CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H23F5N4O2.C14H8F3N3O2.2C14H10F3N3.C14H11F3N2O2.C14H9F3N2.C12H14F2N2O3.C7H6F3N.C7H5NO3/c1-15(2)26(38)34-13-17-10-21(24(25(28)29)33-12-17)23(37)11-16-3-8-22-18(9-16)14-36(35-22)20-6-4-19(5-7-20)27(30,31)32;15-14(16,17)10-1-3-11(4-2-10)19-8-9-7-12(20(21)22)5-6-13(9)18-19;2*15-14(16,17)10-1-4-12(5-2-10)20-8-9-7-11(18)3-6-13(9)19-20;15-14(16,17)11-5-7-12(8-6-11)18-9-10-3-1-2-4-13(10)19(20)21;15-14(16,17)11-5-7-12(8-6-11)19-9-10-3-1-2-4-13(10)18-19;1-6(2)11(17)16-5-7-3-8(12(18)19)9(10(13)14)15-4-7;8-7(9,10)5-1-3-6(11)4-2-5;9-5-6-3-1-2-4-7(6)8(10)11/h3-10,12,14-15,25H,11,13H2,1-2H3,(H,34,38);1-8H;2*1-8H,18H2;1-8,18H,9H2;1-9H;3-4,6,10H,5H2,1-2H3,(H,16,17)(H,18,19);1-4H,11H2;1-5H
InChIKeyNGZBFITUHLAZOJ-UHFFFAOYSA-N
XLogP31.23
TPSA464.03 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002535.21
LogP ≤ 531.23
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole?
The IUPAC name of 2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole (CID 159777869) is 2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole?
The canonical SMILES for 2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole is CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3nn(-c4ccc(C(F)(F)F)cc4)cc3c2)c1.CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)O)c1.FC(F)(F)c1ccc(-n2cc3ccccc3n2)cc1.Nc1ccc(C(F)(F)F)cc1.Nc1ccc2nn(-c3ccc(C(F)(F)F)cc3)cc2c1.Nc1ccc2nn(-c3ccc(C(F)(F)F)cc3)cc2c1.O=Cc1ccccc1[N+](=O)[O-].O=[N+]([O-])c1ccc2nn(-c3ccc(C(F)(F)F)cc3)cc2c1.O=[N+]([O-])c1ccccc1CNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole?
The InChIKey is NGZBFITUHLAZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F5N4O2.C14H8F3N3O2.2C14H10F3N3.C14H11F3N2O2.C14H9F3N2.C12H14F2N2O3.C7H6F3N.C7H5NO3/c1-15(2)26(38)34-13-17-10-21(24(25(28)29)33-12-17)23(37)11-16-3-8-22-18(9-16)14-36(35-22)20-6-4-19(5-7-20)27(30,31)32;15-14(16,17)10-1-3-11(4-2-10)19-8-9-7-12(20(21)22)5-6-13(9)18-19;2*15-14(16,17)10-1-4-12(5-2-10)20-8-9-7-11(18)3-6-13(9)19-20;15-14(16,17)11-5-7-12(8-6-11)18-9-10-3-1-2-4-13(10)19(20)21;15-14(16,17)11-5-7-12(8-6-11)19-9-10-3-1-2-4-13(10)18-19;1-6(2)11(17)16-5-7-3-8(12(18)19)9(10(13)14)15-4-7;8-7(9,10)5-1-3-6(11)4-2-5;9-5-6-3-1-2-4-7(6)8(10)11/h3-10,12,14-15,25H,11,13H2,1-2H3,(H,34,38);1-8H;2*1-8H,18H2;1-8,18H,9H2;1-9H;3-4,6,10H,5H2,1-2H3,(H,16,17)(H,18,19);1-4H,11H2;1-5H.
What are the key properties of 2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole?
2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole has a molecular weight of 2535.21 g/mol, XLogP of 31.23, 24 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylic acid;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;2-nitrobenzaldehyde;N-[(2-nitrophenyl)methyl]-4-(trifluoromethyl)aniline;5-nitro-2-[4-(trifluoromethyl)phenyl]indazole;4-(trifluoromethyl)aniline;bis(2-[4-(trifluoromethyl)phenyl]indazol-5-amine);2-[4-(trifluoromethyl)phenyl]indazole is sourced from PubChem (CID 159777869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).