1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol

C65H67F3N10O2 — CID 158040892

IUPAC1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol
SMILESCC(C)(C)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1.CC(O)(c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1)C(F)(F)F.O=C1CCC(c2ccc(CN3CCc4cc(-c5cn[nH]c5)ccc43)cc2)N1
InChIInChI=1S/C22H22N4O.C22H25N3.C21H20F3N3O/c27-22-8-6-20(25-22)16-3-1-15(2-4-16)14-26-10-9-18-11-17(5-7-21(18)26)19-12-23-24-13-19;1-22(2,3)20-7-4-16(5-8-20)15-25-11-10-18-12-17(6-9-21(18)25)19-13-23-24-14-19;1-20(28,21(22,23)24)18-5-2-14(3-6-18)13-27-9-8-16-10-15(4-7-19(16)27)17-11-25-26-12-17/h1-5,7,11-13,20H,6,8-10,14H2,(H,23,24)(H,25,27);4-9,12-14H,10-11,15H2,1-3H3,(H,23,24);2-7,10-12,28H,8-9,13H2,1H3,(H,25,26)
InChIKeyFIILXQWIEVZVGZ-UHFFFAOYSA-N
MW1077.31 g/mol
LogP12.94
Rot. Bonds11

About 1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol

1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol (PubChem CID 158040892) has the molecular formula C65H67F3N10O2 and a molecular weight of 1077.31 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol
PubChem CID158040892
Molecular FormulaC65H67F3N10O2
Molecular Weight1077.31 g/mol
Exact Mass1076.54
IUPAC Name1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol
SMILESCC(C)(C)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1.CC(O)(c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1)C(F)(F)F.O=C1CCC(c2ccc(CN3CCc4cc(-c5cn[nH]c5)ccc43)cc2)N1
InChIInChI=1S/C22H22N4O.C22H25N3.C21H20F3N3O/c27-22-8-6-20(25-22)16-3-1-15(2-4-16)14-26-10-9-18-11-17(5-7-21(18)26)19-12-23-24-13-19;1-22(2,3)20-7-4-16(5-8-20)15-25-11-10-18-12-17(6-9-21(18)25)19-13-23-24-14-19;1-20(28,21(22,23)24)18-5-2-14(3-6-18)13-27-9-8-16-10-15(4-7-19(16)27)17-11-25-26-12-17/h1-5,7,11-13,20H,6,8-10,14H2,(H,23,24)(H,25,27);4-9,12-14H,10-11,15H2,1-3H3,(H,23,24);2-7,10-12,28H,8-9,13H2,1H3,(H,25,26)
InChIKeyFIILXQWIEVZVGZ-UHFFFAOYSA-N
XLogP12.94
TPSA145.09 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.31
LogP ≤ 512.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol with MolForge

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Related Compounds

1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-5-(1H-pyrazol-4-yl)-3H-indol-2-one
CID 72699706
1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N-methyl-2,3-dihydroindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide;1-[[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 157064445
1-[[2-Fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
CID 157156999
5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole
CID 157264697
1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-3H-indol-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-5-(1H-pyrazol-4-yl)-3H-indol-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol
CID 157390796
1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydroquinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-pyrazol-3-yl)quinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydroquinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol
CID 157449254
1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide;N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide;N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide;5-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole
CID 157650791
3-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]cyclopentan-1-one;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol
CID 159034255
Tris(1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);methane
CID 159114617
1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol
CID 159575597
3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
CID 159704334
N-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide;1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]cyclobutan-1-ol;5-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole
CID 160266073

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol (CID 158040892) is 1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol is CC(C)(C)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1.CC(O)(c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1)C(F)(F)F.O=C1CCC(c2ccc(CN3CCc4cc(-c5cn[nH]c5)ccc43)cc2)N1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol?
The InChIKey is FIILXQWIEVZVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.C22H25N3.C21H20F3N3O/c27-22-8-6-20(25-22)16-3-1-15(2-4-16)14-26-10-9-18-11-17(5-7-21(18)26)19-12-23-24-13-19;1-22(2,3)20-7-4-16(5-8-20)15-25-11-10-18-12-17(6-9-21(18)25)19-13-23-24-14-19;1-20(28,21(22,23)24)18-5-2-14(3-6-18)13-27-9-8-16-10-15(4-7-19(16)27)17-11-25-26-12-17/h1-5,7,11-13,20H,6,8-10,14H2,(H,23,24)(H,25,27);4-9,12-14H,10-11,15H2,1-3H3,(H,23,24);2-7,10-12,28H,8-9,13H2,1H3,(H,25,26).
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol?
1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol has a molecular weight of 1077.31 g/mol, XLogP of 12.94, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol is sourced from PubChem (CID 158040892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).