3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid

C59H57F4N7O6 — CID 145416543

IUPAC3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESC=C1C=CC(NCc2ccc(F)cc2C(F)(F)F)=C(C(=O)O)N1/C=C\C.C=C1C=CC(NCc2ccccc2-c2ccccc2)=C(C(=O)O)N1/C=C\C.CCCc1ccccc1CNc1ccc2nccn2c1C(=O)O
InChIInChI=1S/C23H22N2O2.C18H16F4N2O2.C18H19N3O2/c1-3-15-25-17(2)13-14-21(22(25)23(26)27)24-16-19-11-7-8-12-20(19)18-9-5-4-6-10-18;1-3-8-24-11(2)4-7-15(16(24)17(25)26)23-10-12-5-6-13(19)9-14(12)18(20,21)22;1-2-5-13-6-3-4-7-14(13)12-20-15-8-9-16-19-10-11-21(16)17(15)18(22)23/h3-15,24H,2,16H2,1H3,(H,26,27);3-9,23H,2,10H2,1H3,(H,25,26);3-4,6-11,20H,2,5,12H2,1H3,(H,22,23)/b15-3-;8-3-;
InChIKeyVZDRLPXDJAYMNX-XJOYQFSLSA-N
MW1036.14 g/mol
LogP12.40
Rot. Bonds17

About 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid

3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 145416543) has the molecular formula C59H57F4N7O6 and a molecular weight of 1036.14 g/mol. Its IUPAC name is 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID145416543
Molecular FormulaC59H57F4N7O6
Molecular Weight1036.14 g/mol
Exact Mass1035.43
IUPAC Name3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESC=C1C=CC(NCc2ccc(F)cc2C(F)(F)F)=C(C(=O)O)N1/C=C\C.C=C1C=CC(NCc2ccccc2-c2ccccc2)=C(C(=O)O)N1/C=C\C.CCCc1ccccc1CNc1ccc2nccn2c1C(=O)O
InChIInChI=1S/C23H22N2O2.C18H16F4N2O2.C18H19N3O2/c1-3-15-25-17(2)13-14-21(22(25)23(26)27)24-16-19-11-7-8-12-20(19)18-9-5-4-6-10-18;1-3-8-24-11(2)4-7-15(16(24)17(25)26)23-10-12-5-6-13(19)9-14(12)18(20,21)22;1-2-5-13-6-3-4-7-14(13)12-20-15-8-9-16-19-10-11-21(16)17(15)18(22)23/h3-15,24H,2,16H2,1H3,(H,26,27);3-9,23H,2,10H2,1H3,(H,25,26);3-4,6-11,20H,2,5,12H2,1H3,(H,22,23)/b15-3-;8-3-;
InChIKeyVZDRLPXDJAYMNX-XJOYQFSLSA-N
XLogP12.40
TPSA171.77 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001036.14
LogP ≤ 512.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid with MolForge

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Related Compounds

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CID 117964994
US9550771, Example 15
CID 122529826
US9550771, Example 5
CID 122529830
US9550771, Example 14
CID 122529833
US11186579, Example 28
CID 146307520
US11186579, Example 14
CID 146341411
4-((6-(3-(3-(3-(Trifluoromethyl)phenyl)ureido)phenyl)imidazo[1,2-a]pyrazin-8-ylamino)methyl)benzoic acid
CID 46878733
2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71781974
3-[4-(Trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 76314799
N-[(S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-2-methyl-1,3a-diaza-3-indenecarboxamide
CID 95376486
8-[(4-Fluoro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 18357424
8-(4-Fluoro-2,6-dimethylbenzylamino)-2-methyl-6-methylimidazo[1,2-a]pyridine 3-carboxylic acid
CID 22672636

Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 145416543) is 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid is C=C1C=CC(NCc2ccc(F)cc2C(F)(F)F)=C(C(=O)O)N1/C=C\C.C=C1C=CC(NCc2ccccc2-c2ccccc2)=C(C(=O)O)N1/C=C\C.CCCc1ccccc1CNc1ccc2nccn2c1C(=O)O.
What is the InChIKey of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is VZDRLPXDJAYMNX-XJOYQFSLSA-N. The full InChI is InChI=1S/C23H22N2O2.C18H16F4N2O2.C18H19N3O2/c1-3-15-25-17(2)13-14-21(22(25)23(26)27)24-16-19-11-7-8-12-20(19)18-9-5-4-6-10-18;1-3-8-24-11(2)4-7-15(16(24)17(25)26)23-10-12-5-6-13(19)9-14(12)18(20,21)22;1-2-5-13-6-3-4-7-14(13)12-20-15-8-9-16-19-10-11-21(16)17(15)18(22)23/h3-15,24H,2,16H2,1H3,(H,26,27);3-9,23H,2,10H2,1H3,(H,25,26);3-4,6-11,20H,2,5,12H2,1H3,(H,22,23)/b15-3-;8-3-;.
What are the key properties of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 1036.14 g/mol, XLogP of 12.40, 17 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-methylidene-3-[(2-phenylphenyl)methylamino]-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid;6-[(2-propylphenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 145416543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).