1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine

C86H86F4N12O5 — CID 158099462

IUPAC1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine
SMILESC=C(NCc1ccc(OCc2ccccc2F)cc1)c1cc(C(C)C)[nH]n1.C=C(NCc1ccc(OCc2ccccc2F)cc1)c1cccn2ccnc12.C=C(NCc1ccc(OCc2ccccc2F)cc1)c1cn(C)c(C)n1.Cc1cc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)n(C)n1
InChIInChI=1S/C23H20FN3O.C22H24FN3O.C21H22FN3O.C20H20FN3O2/c1-17(21-6-4-13-27-14-12-25-23(21)27)26-15-18-8-10-20(11-9-18)28-16-19-5-2-3-7-22(19)24;1-15(2)21-12-22(26-25-21)16(3)24-13-17-8-10-19(11-9-17)27-14-18-6-4-5-7-20(18)23;1-15(21-13-25(3)16(2)24-21)23-12-17-8-10-19(11-9-17)26-14-18-6-4-5-7-20(18)22;1-14-11-19(24(2)23-14)20(25)22-12-15-7-9-17(10-8-15)26-13-16-5-3-4-6-18(16)21/h2-14,26H,1,15-16H2;4-12,15,24H,3,13-14H2,1-2H3,(H,25,26);4-11,13,23H,1,12,14H2,2-3H3;3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyFPBULIFARLRFJT-UHFFFAOYSA-N
MW1443.70 g/mol
LogP17.41
Rot. Bonds28

About 1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine

1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine (PubChem CID 158099462) has the molecular formula C86H86F4N12O5 and a molecular weight of 1443.70 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine
PubChem CID158099462
Molecular FormulaC86H86F4N12O5
Molecular Weight1443.70 g/mol
Exact Mass1442.68
IUPAC Name1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine
SMILESC=C(NCc1ccc(OCc2ccccc2F)cc1)c1cc(C(C)C)[nH]n1.C=C(NCc1ccc(OCc2ccccc2F)cc1)c1cccn2ccnc12.C=C(NCc1ccc(OCc2ccccc2F)cc1)c1cn(C)c(C)n1.Cc1cc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)n(C)n1
InChIInChI=1S/C23H20FN3O.C22H24FN3O.C21H22FN3O.C20H20FN3O2/c1-17(21-6-4-13-27-14-12-25-23(21)27)26-15-18-8-10-20(11-9-18)28-16-19-5-2-3-7-22(19)24;1-15(2)21-12-22(26-25-21)16(3)24-13-17-8-10-19(11-9-17)27-14-18-6-4-5-7-20(18)23;1-15(21-13-25(3)16(2)24-21)23-12-17-8-10-19(11-9-17)26-14-18-6-4-5-7-20(18)22;1-14-11-19(24(2)23-14)20(25)22-12-15-7-9-17(10-8-15)26-13-16-5-3-4-6-18(16)21/h2-14,26H,1,15-16H2;4-12,15,24H,3,13-14H2,1-2H3,(H,25,26);4-11,13,23H,1,12,14H2,2-3H3;3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyFPBULIFARLRFJT-UHFFFAOYSA-N
XLogP17.41
TPSA183.73 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001443.70
LogP ≤ 517.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine with MolForge

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2871923
5-[14-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-14-oxotetradecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171482731
5-[18-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-18-oxooctadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171482738
5-[12-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-12-oxododecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171482741
5-[16-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-16-oxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171482743
US11466034, Example 15
CID 155181078
5-[8-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-8-oxooctoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172442696
5-[6-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172445836
5-[5-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-5-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172450009
5-[4-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobutoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172450449
5-[7-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-7-oxoheptoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172460105
5-[10-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-10-oxodecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172462994

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine (CID 158099462) is 1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine is C=C(NCc1ccc(OCc2ccccc2F)cc1)c1cc(C(C)C)[nH]n1.C=C(NCc1ccc(OCc2ccccc2F)cc1)c1cccn2ccnc12.C=C(NCc1ccc(OCc2ccccc2F)cc1)c1cn(C)c(C)n1.Cc1cc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)n(C)n1.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine?
The InChIKey is FPBULIFARLRFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O.C22H24FN3O.C21H22FN3O.C20H20FN3O2/c1-17(21-6-4-13-27-14-12-25-23(21)27)26-15-18-8-10-20(11-9-18)28-16-19-5-2-3-7-22(19)24;1-15(2)21-12-22(26-25-21)16(3)24-13-17-8-10-19(11-9-17)27-14-18-6-4-5-7-20(18)23;1-15(21-13-25(3)16(2)24-21)23-12-17-8-10-19(11-9-17)26-14-18-6-4-5-7-20(18)22;1-14-11-19(24(2)23-14)20(25)22-12-15-7-9-17(10-8-15)26-13-16-5-3-4-6-18(16)21/h2-14,26H,1,15-16H2;4-12,15,24H,3,13-14H2,1-2H3,(H,25,26);4-11,13,23H,1,12,14H2,2-3H3;3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine?
1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine has a molecular weight of 1443.70 g/mol, XLogP of 17.41, 28 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,2-a]pyridin-8-ylethenamine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)ethenamine is sourced from PubChem (CID 158099462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).