N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

C63H53F13N8O8 — CID 158283212

IUPACN-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESC[C@H](c1cc(F)cc(F)c1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C1(C(F)(F)F)CC1.C[C@H](c1cc(F)cc(F)c1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C1(C(F)(F)F)CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C31H27F5N4O3.C30H25F5N4O3.C2HF3O2/c1-17(19-10-21(32)13-22(33)11-19)40(28(43)30(7-3-8-30)31(34,35)36)16-25(41)38-23-6-5-18-14-29(15-20(18)12-23)24-4-2-9-37-26(24)39-27(29)42;1-16(18-9-20(31)12-21(32)10-18)39(27(42)29(6-7-29)30(33,34)35)15-24(40)37-22-5-4-17-13-28(14-19(17)11-22)23-3-2-8-36-25(23)38-26(28)41;3-2(4,5)1(6)7/h2,4-6,9-13,17H,3,7-8,14-16H2,1H3,(H,38,41)(H,37,39,42);2-5,8-12,16H,6-7,13-15H2,1H3,(H,37,40)(H,36,38,41);(H,6,7)/t17-,29-;16-,28-;/m11./s1
InChIKeyZKRGEYPUKLARSY-FPAWDVGVSA-N
MW1297.14 g/mol
LogP11.46
Rot. Bonds12

About N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 158283212) has the molecular formula C63H53F13N8O8 and a molecular weight of 1297.14 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID158283212
Molecular FormulaC63H53F13N8O8
Molecular Weight1297.14 g/mol
Exact Mass1296.38
IUPAC NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESC[C@H](c1cc(F)cc(F)c1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C1(C(F)(F)F)CC1.C[C@H](c1cc(F)cc(F)c1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C1(C(F)(F)F)CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C31H27F5N4O3.C30H25F5N4O3.C2HF3O2/c1-17(19-10-21(32)13-22(33)11-19)40(28(43)30(7-3-8-30)31(34,35)36)16-25(41)38-23-6-5-18-14-29(15-20(18)12-23)24-4-2-9-37-26(24)39-27(29)42;1-16(18-9-20(31)12-21(32)10-18)39(27(42)29(6-7-29)30(33,34)35)15-24(40)37-22-5-4-17-13-28(14-19(17)11-22)23-3-2-8-36-25(23)38-26(28)41;3-2(4,5)1(6)7/h2,4-6,9-13,17H,3,7-8,14-16H2,1H3,(H,38,41)(H,37,39,42);2-5,8-12,16H,6-7,13-15H2,1H3,(H,37,40)(H,36,38,41);(H,6,7)/t17-,29-;16-,28-;/m11./s1
InChIKeyZKRGEYPUKLARSY-FPAWDVGVSA-N
XLogP11.46
TPSA220.10 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001297.14
LogP ≤ 511.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 158283212) is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is C[C@H](c1cc(F)cc(F)c1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C1(C(F)(F)F)CC1.C[C@H](c1cc(F)cc(F)c1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C1(C(F)(F)F)CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZKRGEYPUKLARSY-FPAWDVGVSA-N. The full InChI is InChI=1S/C31H27F5N4O3.C30H25F5N4O3.C2HF3O2/c1-17(19-10-21(32)13-22(33)11-19)40(28(43)30(7-3-8-30)31(34,35)36)16-25(41)38-23-6-5-18-14-29(15-20(18)12-23)24-4-2-9-37-26(24)39-27(29)42;1-16(18-9-20(31)12-21(32)10-18)39(27(42)29(6-7-29)30(33,34)35)15-24(40)37-22-5-4-17-13-28(14-19(17)11-22)23-3-2-8-36-25(23)38-26(28)41;3-2(4,5)1(6)7/h2,4-6,9-13,17H,3,7-8,14-16H2,1H3,(H,38,41)(H,37,39,42);2-5,8-12,16H,6-7,13-15H2,1H3,(H,37,40)(H,36,38,41);(H,6,7)/t17-,29-;16-,28-;/m11./s1.
What are the key properties of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 1297.14 g/mol, XLogP of 11.46, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158283212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).