2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide

C27H29F5N4O — CID 25063808

IUPAC2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
SMILESCCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2CCc1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C27H29F5N4O/c1-4-36-22-12-13-35(25(26(37)33-3)18-8-6-5-7-9-18)21(23(22)16(2)34-36)11-10-17-14-19(28)24(20(29)15-17)27(30,31)32/h5-9,14-15,21,25H,4,10-13H2,1-3H3,(H,33,37)
InChIKeyDGPFFUIWMVZLDF-UHFFFAOYSA-N
MW520.55 g/mol
LogP5.53
Rot. Bonds7

About 2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide

2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (PubChem CID 25063808) has the molecular formula C27H29F5N4O and a molecular weight of 520.55 g/mol. Its IUPAC name is 2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
PubChem CID25063808
Molecular FormulaC27H29F5N4O
Molecular Weight520.55 g/mol
Exact Mass520.23
IUPAC Name2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
SMILESCCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2CCc1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C27H29F5N4O/c1-4-36-22-12-13-35(25(26(37)33-3)18-8-6-5-7-9-18)21(23(22)16(2)34-36)11-10-17-14-19(28)24(20(29)15-17)27(30,31)32/h5-9,14-15,21,25H,4,10-13H2,1-3H3,(H,33,37)
InChIKeyDGPFFUIWMVZLDF-UHFFFAOYSA-N
XLogP5.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.55
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (CID 25063808) is 2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is CCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2CCc1cc(F)c(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The InChIKey is DGPFFUIWMVZLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F5N4O/c1-4-36-22-12-13-35(25(26(37)33-3)18-8-6-5-7-9-18)21(23(22)16(2)34-36)11-10-17-14-19(28)24(20(29)15-17)27(30,31)32/h5-9,14-15,21,25H,4,10-13H2,1-3H3,(H,33,37).
What are the key properties of 2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide has a molecular weight of 520.55 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 25063808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).