(E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane

C37H39F7N4O4 — CID 156718106

IUPAC(E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CC1COc2c1cc(CCNC=O)nc2-c1ccc(F)cc1.Cc1ccc(-c2ccc(C(F)(F)F)nc2)c(OC2CC2)c1.N/C=C/O
InChIInChI=1S/C17H17FN2O2.C16H14F3NO.C2H3F3.C2H5NO/c1-11-9-22-17-15(11)8-14(6-7-19-10-21)20-16(17)12-2-4-13(18)5-3-12;1-10-2-6-13(14(8-10)21-12-4-5-12)11-3-7-15(20-9-11)16(17,18)19;1-2(3,4)5;3-1-2-4/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,21);2-3,6-9,12H,4-5H2,1H3;1H3;1-2,4H,3H2/b;;;2-1+
InChIKeyJGJIKHMNSBHYES-FFWMQHKVSA-N
MW736.73 g/mol
LogP8.83
Rot. Bonds8

About (E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane

(E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane (PubChem CID 156718106) has the molecular formula C37H39F7N4O4 and a molecular weight of 736.73 g/mol. Its IUPAC name is (E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane.

Molecular Properties

Compound Name(E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane
PubChem CID156718106
Molecular FormulaC37H39F7N4O4
Molecular Weight736.73 g/mol
Exact Mass736.29
IUPAC Name(E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CC1COc2c1cc(CCNC=O)nc2-c1ccc(F)cc1.Cc1ccc(-c2ccc(C(F)(F)F)nc2)c(OC2CC2)c1.N/C=C/O
InChIInChI=1S/C17H17FN2O2.C16H14F3NO.C2H3F3.C2H5NO/c1-11-9-22-17-15(11)8-14(6-7-19-10-21)20-16(17)12-2-4-13(18)5-3-12;1-10-2-6-13(14(8-10)21-12-4-5-12)11-3-7-15(20-9-11)16(17,18)19;1-2(3,4)5;3-1-2-4/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,21);2-3,6-9,12H,4-5H2,1H3;1H3;1-2,4H,3H2/b;;;2-1+
InChIKeyJGJIKHMNSBHYES-FFWMQHKVSA-N
XLogP8.83
TPSA119.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.73
LogP ≤ 58.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane 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

2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide
CID 156872491
3,6-dimethyl-8-(trifluoromethoxy)quinoline;ethenamine;N-ethenyl-2-[3-fluoro-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine
CID 165395575
N-[7-(4-fluorophenyl)-5-[2-(methylamino)ethyl]-2,3-dihydrofuro[2,3-c]pyridin-3-yl]formamide
CID 156718310
4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 144796013
formamide;3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
CID 156872554
potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide
CID 169240809
CID 169241364
CID 169241364
4-cyclopropyloxy-N-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-3-formyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-3-methoxybenzamide;methanamine
CID 164911508
8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
CID 156872774
8-cyclopropyloxy-3-methyl-N-[3,3,3-trifluoro-2-[7-[4-fluoro-3-(1-fluoroethyl)phenyl]-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cinnoline-6-carboxamide;formamide
CID 156872939
3-fluoro-8-methoxy-2-methyl-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide;formamide
CID 156872800
2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide
CID 164910611

Frequently Asked Questions

What is the IUPAC name of (E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane?
The IUPAC name of (E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane (CID 156718106) is (E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane.
What is the SMILES notation for (E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane?
The canonical SMILES for (E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane is CC(F)(F)F.CC1COc2c1cc(CCNC=O)nc2-c1ccc(F)cc1.Cc1ccc(-c2ccc(C(F)(F)F)nc2)c(OC2CC2)c1.N/C=C/O.
What is the InChIKey of (E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane?
The InChIKey is JGJIKHMNSBHYES-FFWMQHKVSA-N. The full InChI is InChI=1S/C17H17FN2O2.C16H14F3NO.C2H3F3.C2H5NO/c1-11-9-22-17-15(11)8-14(6-7-19-10-21)20-16(17)12-2-4-13(18)5-3-12;1-10-2-6-13(14(8-10)21-12-4-5-12)11-3-7-15(20-9-11)16(17,18)19;1-2(3,4)5;3-1-2-4/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,21);2-3,6-9,12H,4-5H2,1H3;1H3;1-2,4H,3H2/b;;;2-1+.
What are the key properties of (E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane?
(E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane has a molecular weight of 736.73 g/mol, XLogP of 8.83, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane is sourced from PubChem (CID 156718106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).