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

C19H21F2N5O3 — CID 175480370

IUPAC4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cnnn3C)c(C3CCNCC3(F)F)c2c1C(N)=O
InChIInChI=1S/C19H21F2N5O3/c1-10-15(18(22)27)17-14(29-10)4-3-13(28-8-11-7-24-25-26(11)2)16(17)12-5-6-23-9-19(12,20)21/h3-4,7,12,23H,5-6,8-9H2,1-2H3,(H2,22,27)
InChIKeyVMIUXXHOUCAERG-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.26
Rot. Bonds5

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

4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 175480370) has the molecular formula C19H21F2N5O3 and a molecular weight of 405.41 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide
PubChem CID175480370
Molecular FormulaC19H21F2N5O3
Molecular Weight405.41 g/mol
Exact Mass405.16
IUPAC Name4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cnnn3C)c(C3CCNCC3(F)F)c2c1C(N)=O
InChIInChI=1S/C19H21F2N5O3/c1-10-15(18(22)27)17-14(29-10)4-3-13(28-8-11-7-24-25-26(11)2)16(17)12-5-6-23-9-19(12,20)21/h3-4,7,12,23H,5-6,8-9H2,1-2H3,(H2,22,27)
InChIKeyVMIUXXHOUCAERG-UHFFFAOYSA-N
XLogP2.26
TPSA108.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)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

5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379989
2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380040
(4-Aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone
CID 163380088
N-(4,4-difluorooxolan-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380454
2-methyl-N-(1H-pyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380491
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide
CID 163380564
5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-N-[(3S)-3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide
CID 163380769
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163380869
N-[(2S)-1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl]-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 172195613
N-[(3S)-4,4-difluoropyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 178254227
N-[(3R)-4,4-difluoropyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 178254228
N-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 178254249

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide (CID 175480370) is 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3cnnn3C)c(C3CCNCC3(F)F)c2c1C(N)=O.
What is the InChIKey of 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is VMIUXXHOUCAERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O3/c1-10-15(18(22)27)17-14(29-10)4-3-13(28-8-11-7-24-25-26(11)2)16(17)12-5-6-23-9-19(12,20)21/h3-4,7,12,23H,5-6,8-9H2,1-2H3,(H2,22,27).
What are the key properties of 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide?
4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).