3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline

C54H41Cl3F6N14O6 — CID 158781042

IUPAC3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline
SMILESCc1ccc(N)cc1.Cc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Cl)n1.Cc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1C.O=[N+]([O-])c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C20H13F4N5O2.C13H8ClFN4O2.C9H9FN2.C7H9N.C5H2Cl2N2O2/c1-11-19(28-10-13(21)4-7-18(28)25-11)16-8-15(29(30)31)9-17(27-16)26-14-5-2-12(3-6-14)20(22,23)24;1-7-13(18-6-8(15)2-3-12(18)16-7)10-4-9(19(20)21)5-11(14)17-10;1-6-7(2)12-5-8(10)3-4-9(12)11-6;1-6-2-4-7(8)5-3-6;6-4-1-3(9(10)11)2-5(7)8-4/h2-10H,1H3,(H,26,27);2-6H,1H3;3-5H,1-2H3;2-5H,8H2,1H3;1-2H
InChIKeyIRBVJJOQCXGOQT-UHFFFAOYSA-N
MW1202.36 g/mol
LogP14.88
Rot. Bonds7

About 3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline

3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline (PubChem CID 158781042) has the molecular formula C54H41Cl3F6N14O6 and a molecular weight of 1202.36 g/mol. Its IUPAC name is 3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline.

Molecular Properties

Compound Name3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline
PubChem CID158781042
Molecular FormulaC54H41Cl3F6N14O6
Molecular Weight1202.36 g/mol
Exact Mass1200.23
IUPAC Name3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline
SMILESCc1ccc(N)cc1.Cc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Cl)n1.Cc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1C.O=[N+]([O-])c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C20H13F4N5O2.C13H8ClFN4O2.C9H9FN2.C7H9N.C5H2Cl2N2O2/c1-11-19(28-10-13(21)4-7-18(28)25-11)16-8-15(29(30)31)9-17(27-16)26-14-5-2-12(3-6-14)20(22,23)24;1-7-13(18-6-8(15)2-3-12(18)16-7)10-4-9(19(20)21)5-11(14)17-10;1-6-7(2)12-5-8(10)3-4-9(12)11-6;1-6-2-4-7(8)5-3-6;6-4-1-3(9(10)11)2-5(7)8-4/h2-10H,1H3,(H,26,27);2-6H,1H3;3-5H,1-2H3;2-5H,8H2,1H3;1-2H
InChIKeyIRBVJJOQCXGOQT-UHFFFAOYSA-N
XLogP14.88
TPSA258.04 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001202.36
LogP ≤ 514.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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 3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline 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

US11420970, Example 191
CID 156073324
US11420970, Example 240
CID 156073385
US11420970, Example 210
CID 156073153
4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-fluorophenyl)pyrimidin-2-amine
CID 10183076
6-N-[2-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 59313083
6-N-[2-[[7-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 59313088
N-[2-[[4-(2-chloro-4-fluorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[[4-(2-chloro-4-fluorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[2-[(5-nitro-2-pyridinyl)amino]ethyl]amino]amino]ethyl]-5-nitropyridin-2-amine
CID 87779296
5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(3R)-piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 118164365
6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 122578371
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 148789102
7-[5-chloro-6-[(2S,6R)-6-[3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]-2-[(2R,6S)-6-[5-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 156281651
2-[[4-Chloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-[(4-fluorophenyl)methyl]piperazine;2-[[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-oxido-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-7-ium-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 157448300

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline?
The IUPAC name of 3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline (CID 158781042) is 3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline.
What is the SMILES notation for 3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline?
The canonical SMILES for 3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline is Cc1ccc(N)cc1.Cc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Cl)n1.Cc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cn2c1C.O=[N+]([O-])c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline?
The InChIKey is IRBVJJOQCXGOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O2.C13H8ClFN4O2.C9H9FN2.C7H9N.C5H2Cl2N2O2/c1-11-19(28-10-13(21)4-7-18(28)25-11)16-8-15(29(30)31)9-17(27-16)26-14-5-2-12(3-6-14)20(22,23)24;1-7-13(18-6-8(15)2-3-12(18)16-7)10-4-9(19(20)21)5-11(14)17-10;1-6-7(2)12-5-8(10)3-4-9(12)11-6;1-6-2-4-7(8)5-3-6;6-4-1-3(9(10)11)2-5(7)8-4/h2-10H,1H3,(H,26,27);2-6H,1H3;3-5H,1-2H3;2-5H,8H2,1H3;1-2H.
What are the key properties of 3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline?
3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline has a molecular weight of 1202.36 g/mol, XLogP of 14.88, 7 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline is sourced from PubChem (CID 158781042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).