3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol

C35H37F3N8O2 — CID 159760810

IUPAC3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol
SMILESCCc1cc(C(O)C(F)(F)F)ccc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C=O)ccc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C18H19F3N4O.C17H18N4O/c1-4-11-7-12(17(26)18(19,20)21)5-6-14(11)25(3)16-8-15-13(9-22-16)23-10-24(15)2;1-4-13-7-12(10-22)5-6-15(13)21(3)17-8-16-14(9-18-17)19-11-20(16)2/h5-10,17,26H,4H2,1-3H3;5-11H,4H2,1-3H3
InChIKeyNEVVFHAZELEYPO-UHFFFAOYSA-N
MW658.73 g/mol
LogP7.01
Rot. Bonds8

About 3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol

3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol (PubChem CID 159760810) has the molecular formula C35H37F3N8O2 and a molecular weight of 658.73 g/mol. Its IUPAC name is 3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol
PubChem CID159760810
Molecular FormulaC35H37F3N8O2
Molecular Weight658.73 g/mol
Exact Mass658.30
IUPAC Name3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol
SMILESCCc1cc(C(O)C(F)(F)F)ccc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C=O)ccc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C18H19F3N4O.C17H18N4O/c1-4-11-7-12(17(26)18(19,20)21)5-6-14(11)25(3)16-8-15-13(9-22-16)23-10-24(15)2;1-4-13-7-12(10-22)5-6-15(13)21(3)17-8-16-14(9-18-17)19-11-20(16)2/h5-10,17,26H,4H2,1-3H3;5-11H,4H2,1-3H3
InChIKeyNEVVFHAZELEYPO-UHFFFAOYSA-N
XLogP7.01
TPSA105.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.73
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
Methyl 9-(3-purin-7-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57397331
2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
CID 122179446
1-(Cyclopropylmethyl)-2-(5-ethyl-5H-pyrido[4,3-b]indol-8-yl)-1H-benzimidazole-5-carboxylic acid
CID 90202585
1-[3-(4-Benzhydrylpiperazin-1-yl)propyl]-5-(imidazol-1-ylmethyl)indole-2-carboxylic acid
CID 19434328
4-[3-(1-Hydroxy-ethyl)-phenylamino]-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide
CID 11388192
4-[3-(2-hydroxypropan-2-yl)anilino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 11468011
4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole-8-carboxylic acid
CID 11476666
N-[[4-[2-(2-amino-3-pyridinyl)-5-[3-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 58345230
4-[[4-[7-Methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid
CID 59176819
4-[(4-Imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid
CID 59176843
4-[[4-[2-Methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid
CID 59176864

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol?
The IUPAC name of 3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol (CID 159760810) is 3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol is CCc1cc(C(O)C(F)(F)F)ccc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C=O)ccc1N(C)c1cc2c(cn1)ncn2C.
What is the InChIKey of 3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol?
The InChIKey is NEVVFHAZELEYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O.C17H18N4O/c1-4-11-7-12(17(26)18(19,20)21)5-6-14(11)25(3)16-8-15-13(9-22-16)23-10-24(15)2;1-4-13-7-12(10-22)5-6-15(13)21(3)17-8-16-14(9-18-17)19-11-20(16)2/h5-10,17,26H,4H2,1-3H3;5-11H,4H2,1-3H3.
What are the key properties of 3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol?
3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol has a molecular weight of 658.73 g/mol, XLogP of 7.01, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzaldehyde;1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 159760810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).