5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C31H24F8N4O2 — CID 147417233

IUPAC5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(F)(F)CC3)Cc2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/C31H24F8N4O2/c32-19-9-16(10-20(33)13-19)8-18(27-22(2-1-7-41-27)17-3-4-25(34)24(12-17)29(40)45)11-21(44)15-43-26-14-30(35,36)6-5-23(26)28(42-43)31(37,38)39/h1-4,7,9-10,12-13,18H,5-6,8,11,14-15H2,(H2,40,45)/t18-/m1/s1
InChIKeyDRTQAUWJWXMAGB-GOSISDBHSA-N
MW636.54 g/mol
LogP6.59
Rot. Bonds9

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 147417233) has the molecular formula C31H24F8N4O2 and a molecular weight of 636.54 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
PubChem CID147417233
Molecular FormulaC31H24F8N4O2
Molecular Weight636.54 g/mol
Exact Mass636.18
IUPAC Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(F)(F)CC3)Cc2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/C31H24F8N4O2/c32-19-9-16(10-20(33)13-19)8-18(27-22(2-1-7-41-27)17-3-4-25(34)24(12-17)29(40)45)11-21(44)15-43-26-14-30(35,36)6-5-23(26)28(42-43)31(37,38)39/h1-4,7,9-10,12-13,18H,5-6,8,11,14-15H2,(H2,40,45)/t18-/m1/s1
InChIKeyDRTQAUWJWXMAGB-GOSISDBHSA-N
XLogP6.59
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.54
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide with MolForge

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Related Compounds

(+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355646
N-(4-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)benzamide
CID 52942123
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyridine-2-carboxamide
CID 16192366
US10889564, Example 1
CID 24819270
US10889564, Example 3
CID 42216319
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridinecarboxamide
CID 42288156
1-(4-Fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 45138012
1-(4-Fluorophenyl)-1H-indazole-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 58138826
1-(6-fluoropyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138868
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)indole-3-carboxamide
CID 66576610
4-(Benzylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291866
N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 73051086

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 147417233) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(F)(F)CC3)Cc2cc(F)cc(F)c2)ccc1F.
What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is DRTQAUWJWXMAGB-GOSISDBHSA-N. The full InChI is InChI=1S/C31H24F8N4O2/c32-19-9-16(10-20(33)13-19)8-18(27-22(2-1-7-41-27)17-3-4-25(34)24(12-17)29(40)45)11-21(44)15-43-26-14-30(35,36)6-5-23(26)28(42-43)31(37,38)39/h1-4,7,9-10,12-13,18H,5-6,8,11,14-15H2,(H2,40,45)/t18-/m1/s1.
What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 636.54 g/mol, XLogP of 6.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 147417233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).