bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C93H72F18N12O8 — CID 159634148

IUPACbis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCC=C3)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3=O)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3=O)Cc2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/2C31H24F6N4O3.C31H24F6N4O2/c2*32-19-10-16(11-20(33)14-19)9-18(28-22(3-2-8-39-28)17-6-7-24(34)23(13-17)30(38)44)12-21(42)15-41-25-4-1-5-26(43)27(25)29(40-41)31(35,36)37;32-20-11-17(12-21(33)15-20)10-19(28-23(5-3-9-39-28)18-7-8-26(34)25(14-18)30(38)43)13-22(42)16-41-27-6-2-1-4-24(27)29(40-41)31(35,36)37/h2*2-3,6-8,10-11,13-14,18H,1,4-5,9,12,15H2,(H2,38,44);1,3-5,7-9,11-12,14-15,19H,2,6,10,13,16H2,(H2,38,43)/t2*18-;19-/m111/s1
InChIKeyMPNDHLSLAWPKJV-HPQWJTLGSA-N
MW1827.64 g/mol
LogP18.39
Rot. Bonds27

About bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 159634148) has the molecular formula C93H72F18N12O8 and a molecular weight of 1827.64 g/mol. Its IUPAC name is bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Namebis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
PubChem CID159634148
Molecular FormulaC93H72F18N12O8
Molecular Weight1827.64 g/mol
Exact Mass1826.53
IUPAC Namebis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCC=C3)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3=O)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3=O)Cc2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/2C31H24F6N4O3.C31H24F6N4O2/c2*32-19-10-16(11-20(33)14-19)9-18(28-22(3-2-8-39-28)17-6-7-24(34)23(13-17)30(38)44)12-21(42)15-41-25-4-1-5-26(43)27(25)29(40-41)31(35,36)37;32-20-11-17(12-21(33)15-20)10-19(28-23(5-3-9-39-28)18-7-8-26(34)25(14-18)30(38)43)13-22(42)16-41-27-6-2-1-4-24(27)29(40-41)31(35,36)37/h2*2-3,6-8,10-11,13-14,18H,1,4-5,9,12,15H2,(H2,38,44);1,3-5,7-9,11-12,14-15,19H,2,6,10,13,16H2,(H2,38,43)/t2*18-;19-/m111/s1
InChIKeyMPNDHLSLAWPKJV-HPQWJTLGSA-N
XLogP18.39
TPSA306.75 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001827.64
LogP ≤ 518.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide with MolForge

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Related Compounds

5-[2-(3-Fluorophenyl)piperidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 68282607
1-[5-[(2-fluorophenyl)methyl]-1-[3-[1-[(2-fluorophenyl)methyl]indol-3-yl]pyrrolidin-1-yl]-2-phenyl-3-propyl-3H-pyrazol-4-yl]-2-(1-phenyl-5-propylpyrazol-4-yl)ethane-1,2-dione
CID 69220291
5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-7-oxo-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 71184914
5-[2-[1-[[2-[5-(Difluoromethyl)-7-oxo-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 78023691
(S)-5-(2-(1-(2-(3-(difluoromethyl)-7,7-difluoro-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)-2-(3,5-difluorophenyl)ethyl)pyridin-3-yl)-2-fluorobenzamide
CID 86719822
1-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 87526211
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetyl]amino]ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 89351022
5-[2-[2-(3,5-difluorophenyl)-1-[[2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetyl]amino]ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 89351023
5-[2-[1-[[2-[3-(Difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 89351041
5-[2-[(1S)-1-[[2-[7,7-difluoro-4-oxo-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 89351130
5-[2-[1-[[2-[7,7-Difluoro-4-oxo-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 89351131
3-(3-Fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one;3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one;3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one
CID 118606897

Frequently Asked Questions

What is the IUPAC name of bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 159634148) is bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCC=C3)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3=O)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3=O)Cc2cc(F)cc(F)c2)ccc1F.
What is the InChIKey of bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is MPNDHLSLAWPKJV-HPQWJTLGSA-N. The full InChI is InChI=1S/2C31H24F6N4O3.C31H24F6N4O2/c2*32-19-10-16(11-20(33)14-19)9-18(28-22(3-2-8-39-28)17-6-7-24(34)23(13-17)30(38)44)12-21(42)15-41-25-4-1-5-26(43)27(25)29(40-41)31(35,36)37;32-20-11-17(12-21(33)15-20)10-19(28-23(5-3-9-39-28)18-7-8-26(34)25(14-18)30(38)43)13-22(42)16-41-27-6-2-1-4-24(27)29(40-41)31(35,36)37/h2*2-3,6-8,10-11,13-14,18H,1,4-5,9,12,15H2,(H2,38,44);1,3-5,7-9,11-12,14-15,19H,2,6,10,13,16H2,(H2,38,43)/t2*18-;19-/m111/s1.
What are the key properties of bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 1827.64 g/mol, XLogP of 18.39, 27 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide);5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 159634148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).