5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C30H27F6N5O2 — CID 147938102

IUPAC5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESCCNCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)nc1C(F)(F)F
InChIInChI=1S/C30H27F6N5O2/c1-2-38-14-20-15-41(40-28(20)30(34,35)36)16-23(42)11-19(8-17-9-21(31)13-22(32)10-17)27-24(4-3-7-39-27)18-5-6-26(33)25(12-18)29(37)43/h3-7,9-10,12-13,15,19,38H,2,8,11,14,16H2,1H3,(H2,37,43)/t19-/m1/s1
InChIKeyILEUOERGMLNYPW-LJQANCHMSA-N
MW603.57 g/mol
LogP5.58
Rot. Bonds12

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 147938102) has the molecular formula C30H27F6N5O2 and a molecular weight of 603.57 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
PubChem CID147938102
Molecular FormulaC30H27F6N5O2
Molecular Weight603.57 g/mol
Exact Mass603.21
IUPAC Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESCCNCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)nc1C(F)(F)F
InChIInChI=1S/C30H27F6N5O2/c1-2-38-14-20-15-41(40-28(20)30(34,35)36)16-23(42)11-19(8-17-9-21(31)13-22(32)10-17)27-24(4-3-7-39-27)18-5-6-26(33)25(12-18)29(37)43/h3-7,9-10,12-13,15,19,38H,2,8,11,14,16H2,1H3,(H2,37,43)/t19-/m1/s1
InChIKeyILEUOERGMLNYPW-LJQANCHMSA-N
XLogP5.58
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.57
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide with MolForge

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Related Compounds

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(+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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Cathepsin Inhibitor, Column 2 Row 3
CID 71463527
CID 155557232
CID 155557232
N-(4-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)benzamide
CID 52942123
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
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N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyridine-2-carboxamide
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N-Pyridin-4-yl-4-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-benzamide
CID 17748340

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 147938102) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is CCNCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)nc1C(F)(F)F.
What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is ILEUOERGMLNYPW-LJQANCHMSA-N. The full InChI is InChI=1S/C30H27F6N5O2/c1-2-38-14-20-15-41(40-28(20)30(34,35)36)16-23(42)11-19(8-17-9-21(31)13-22(32)10-17)27-24(4-3-7-39-27)18-5-6-26(33)25(12-18)29(37)43/h3-7,9-10,12-13,15,19,38H,2,8,11,14,16H2,1H3,(H2,37,43)/t19-/m1/s1.
What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 603.57 g/mol, XLogP of 5.58, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 147938102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).