5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

C23H25F2N5O4 — CID 166159394

IUPAC5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1.Cn1cncc1COc1cccc(F)c1F
InChIInChI=1S/C12H15N3O3.C11H10F2N2O/c1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;1-15-7-14-5-8(15)6-16-10-4-2-3-9(12)11(10)13/h4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);2-5,7H,6H2,1H3
InChIKeyABYRGFWNFFVFJU-UHFFFAOYSA-N
MW473.48 g/mol
LogP2.96
Rot. Bonds6

About 5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (PubChem CID 166159394) has the molecular formula C23H25F2N5O4 and a molecular weight of 473.48 g/mol. Its IUPAC name is 5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
PubChem CID166159394
Molecular FormulaC23H25F2N5O4
Molecular Weight473.48 g/mol
Exact Mass473.19
IUPAC Name5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1.Cn1cncc1COc1cccc(F)c1F
InChIInChI=1S/C12H15N3O3.C11H10F2N2O/c1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;1-15-7-14-5-8(15)6-16-10-4-2-3-9(12)11(10)13/h4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);2-5,7H,6H2,1H3
InChIKeyABYRGFWNFFVFJU-UHFFFAOYSA-N
XLogP2.96
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-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

3-[(2,3-difluorophenoxy)methyl]-3-fluoro-1-methylazetidine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159908
3-[(2,3-difluorophenoxy)methyl]-3-fluorooxetane;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159913
1-cyclobutyloxy-2,3-difluorobenzene;formonitrile;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159830
1-(cyclopropylmethoxy)-2-fluoro-3-methoxybenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159794
1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
CID 177358357
3-(2-fluorophenoxy)-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178082658
1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178083049
1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159495
1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide
CID 156750201
1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357775
ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178082673
1,2-difluoro-3-methoxybenzene;5-methyl-N-[2-(methylamino)-4-pyridinyl]oxolane-2-carboxamide
CID 166161077

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (CID 166159394) is 5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is CC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1.Cn1cncc1COc1cccc(F)c1F.
What is the InChIKey of 5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The InChIKey is ABYRGFWNFFVFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.C11H10F2N2O/c1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;1-15-7-14-5-8(15)6-16-10-4-2-3-9(12)11(10)13/h4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);2-5,7H,6H2,1H3.
What are the key properties of 5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 166159394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).