4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide

C22H20F5N3O3 — CID 175480621

IUPAC4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cccnc3C(F)(F)F)c(C3CNCC(F)(F)C3)c2c1C(N)=O
InChIInChI=1S/C22H20F5N3O3/c1-11-16(20(28)31)18-15(33-11)5-4-14(17(18)13-7-21(23,24)10-29-8-13)32-9-12-3-2-6-30-19(12)22(25,26)27/h2-6,13,29H,7-10H2,1H3,(H2,28,31)
InChIKeyCREIHYXGYDRZFR-UHFFFAOYSA-N
MW469.41 g/mol
LogP4.55
Rot. Bonds5

About 4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide

4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide (PubChem CID 175480621) has the molecular formula C22H20F5N3O3 and a molecular weight of 469.41 g/mol. Its IUPAC name is 4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
PubChem CID175480621
Molecular FormulaC22H20F5N3O3
Molecular Weight469.41 g/mol
Exact Mass469.14
IUPAC Name4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cccnc3C(F)(F)F)c(C3CNCC(F)(F)C3)c2c1C(N)=O
InChIInChI=1S/C22H20F5N3O3/c1-11-16(20(28)31)18-15(33-11)5-4-14(17(18)13-7-21(23,24)10-29-8-13)32-9-12-3-2-6-30-19(12)22(25,26)27/h2-6,13,29H,7-10H2,1H3,(H2,28,31)
InChIKeyCREIHYXGYDRZFR-UHFFFAOYSA-N
XLogP4.55
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide
CID 175480364
4-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 175480674
4-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 175480244
4-chloro-N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 169222061
4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480263
ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380526
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380775
N-(4,4-difluorooxolan-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380454
4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 175480277
4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480370
3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride
CID 166105001
2-tert-butyl-4-[[2,6-dimethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carbonyl]amino]-3,3-difluoropiperidine-1-carboxylic acid
CID 175480779

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of 4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide (CID 175480621) is 4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for 4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3cccnc3C(F)(F)F)c(C3CNCC(F)(F)C3)c2c1C(N)=O.
What is the InChIKey of 4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is CREIHYXGYDRZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F5N3O3/c1-11-16(20(28)31)18-15(33-11)5-4-14(17(18)13-7-21(23,24)10-29-8-13)32-9-12-3-2-6-30-19(12)22(25,26)27/h2-6,13,29H,7-10H2,1H3,(H2,28,31).
What are the key properties of 4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 469.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).