2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide

C33H26F7N5O2 — CID 123191093

IUPAC2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide
SMILESCC1(F)CCC(F)(F)c2c(C(F)F)nn(CC(=O)NC(Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc4ccc(=O)[nH]c4c3)c21
InChIInChI=1S/C33H26F7N5O2/c1-32(38)8-9-33(39,40)27-29(31(36)37)44-45(30(27)32)16-26(47)43-24(13-17-11-20(34)15-21(35)12-17)28-22(3-2-10-41-28)19-5-4-18-6-7-25(46)42-23(18)14-19/h2-7,10-12,14-15,24,31H,8-9,13,16H2,1H3,(H,42,46)(H,43,47)
InChIKeyNOYBYFBOFIRQQV-UHFFFAOYSA-N
MW657.59 g/mol
LogP7.17
Rot. Bonds8

About 2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide

2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide (PubChem CID 123191093) has the molecular formula C33H26F7N5O2 and a molecular weight of 657.59 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide
PubChem CID123191093
Molecular FormulaC33H26F7N5O2
Molecular Weight657.59 g/mol
Exact Mass657.20
IUPAC Name2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide
SMILESCC1(F)CCC(F)(F)c2c(C(F)F)nn(CC(=O)NC(Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc4ccc(=O)[nH]c4c3)c21
InChIInChI=1S/C33H26F7N5O2/c1-32(38)8-9-33(39,40)27-29(31(36)37)44-45(30(27)32)16-26(47)43-24(13-17-11-20(34)15-21(35)12-17)28-22(3-2-10-41-28)19-5-4-18-6-7-25(46)42-23(18)14-19/h2-7,10-12,14-15,24,31H,8-9,13,16H2,1H3,(H,42,46)(H,43,47)
InChIKeyNOYBYFBOFIRQQV-UHFFFAOYSA-N
XLogP7.17
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.59
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide with MolForge

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Related Compounds

2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methyl-1-oxo-3H-isoindol-5-yl)-2-pyridinyl]ethyl]acetamide
CID 90162581
5-[2-[1-[[2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 90150353
2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide
CID 167303702
5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 89350612
5-[2-[(1S)-1-[[2-[(4S)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 118357882
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 86719820
N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide
CID 89350992
5-[2-[(1S)-1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoropyridine-3-carboxamide
CID 90168240
5-[2-[2-(3,5-difluorophenyl)-1-[[2-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 90150204
5-[2-(cyclopropylmethylamino)-4-[1-[[2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluorobenzamide
CID 90281384
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 89351003
2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-piperidin-1-ylsulfinylphenyl)-2-pyridinyl]ethyl]acetamide
CID 129129757

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide (CID 123191093) is 2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide is CC1(F)CCC(F)(F)c2c(C(F)F)nn(CC(=O)NC(Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc4ccc(=O)[nH]c4c3)c21.
What is the InChIKey of 2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide?
The InChIKey is NOYBYFBOFIRQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F7N5O2/c1-32(38)8-9-33(39,40)27-29(31(36)37)44-45(30(27)32)16-26(47)43-24(13-17-11-20(34)15-21(35)12-17)28-22(3-2-10-41-28)19-5-4-18-6-7-25(46)42-23(18)14-19/h2-7,10-12,14-15,24,31H,8-9,13,16H2,1H3,(H,42,46)(H,43,47).
What are the key properties of 2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide?
2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 657.59 g/mol, XLogP of 7.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 123191093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).