5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C38H27F10N5O3 — CID 157369134

IUPAC5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2ccc(-c3ccc(F)c(C(N)=O)c3)c([C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)n2)ccc1F
InChIInChI=1S/C38H27F10N5O3/c39-21-10-17(11-22(40)15-21)9-20(12-23(54)16-53-33-30(32(52-53)34(43)44)37(45,46)7-8-38(33,47)48)31-24(18-1-4-27(41)25(13-18)35(49)55)3-6-29(51-31)19-2-5-28(42)26(14-19)36(50)56/h1-6,10-11,13-15,20,34H,7-9,12,16H2,(H2,49,55)(H2,50,56)/t20-/m1/s1
InChIKeyUKFHLAXTHGIIFA-HXUWFJFHSA-N
MW791.65 g/mol
LogP8.27
Rot. Bonds12

About 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 157369134) has the molecular formula C38H27F10N5O3 and a molecular weight of 791.65 g/mol. Its IUPAC name is 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
PubChem CID157369134
Molecular FormulaC38H27F10N5O3
Molecular Weight791.65 g/mol
Exact Mass791.20
IUPAC Name5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2ccc(-c3ccc(F)c(C(N)=O)c3)c([C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)n2)ccc1F
InChIInChI=1S/C38H27F10N5O3/c39-21-10-17(11-22(40)15-21)9-20(12-23(54)16-53-33-30(32(52-53)34(43)44)37(45,46)7-8-38(33,47)48)31-24(18-1-4-27(41)25(13-18)35(49)55)3-6-29(51-31)19-2-5-28(42)26(14-19)36(50)56/h1-6,10-11,13-15,20,34H,7-9,12,16H2,(H2,49,55)(H2,50,56)/t20-/m1/s1
InChIKeyUKFHLAXTHGIIFA-HXUWFJFHSA-N
XLogP8.27
TPSA133.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.65
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide with MolForge

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Related Compounds

7-fluoro-4-N-[5-methyl-1-[(3-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172142
6-[5-[[3-Fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpyrazol-3-yl]-2-methylpyridine-3-carboxamide
CID 56651045
N-pyridin-4-yl-3-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide
CID 58267317
6-[3-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 69361094
3-[3-[3-[3-(Dimethylamino)prop-2-enoyl]-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
CID 69361101
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-[2-(3,5-Difluorophenyl)-1-[[2-(4,5,6,7-tetrahydroindazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71184935
(S)-5-(2-(2-(3,5-difluorophenyl)-1-(2-(4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)ethyl)pyridin-3-yl)-2-fluorobenzamide
CID 71184936
N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71185061
5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-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 71185372
(S)-2-fluoro-5-(2-(2-(3-fluorophenyl)-1-(2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)ethyl)pyridin-3-yl)benzamide
CID 71186861
2-Fluoro-5-[2-[2-(3-fluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]pyridin-3-yl]benzamide
CID 71186862

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 157369134) is 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is NC(=O)c1cc(-c2ccc(-c3ccc(F)c(C(N)=O)c3)c([C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)n2)ccc1F.
What is the InChIKey of 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is UKFHLAXTHGIIFA-HXUWFJFHSA-N. The full InChI is InChI=1S/C38H27F10N5O3/c39-21-10-17(11-22(40)15-21)9-20(12-23(54)16-53-33-30(32(52-53)34(43)44)37(45,46)7-8-38(33,47)48)31-24(18-1-4-27(41)25(13-18)35(49)55)3-6-29(51-31)19-2-5-28(42)26(14-19)36(50)56/h1-6,10-11,13-15,20,34H,7-9,12,16H2,(H2,49,55)(H2,50,56)/t20-/m1/s1.
What are the key properties of 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 791.65 g/mol, XLogP of 8.27, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 157369134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).