2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide

C22H23FN6O3 — CID 54299012

IUPAC2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide
SMILESCC1(C(=O)NC2CC2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(N)n3)[nH]2)OC1
InChIInChI=1S/C22H23FN6O3/c1-22(20(30)26-14-6-7-14)10-31-19(32-11-22)18-28-16(12-2-4-13(23)5-3-12)17(29-18)15-8-9-25-21(24)27-15/h2-5,8-9,14,19H,6-7,10-11H2,1H3,(H,26,30)(H,28,29)(H2,24,25,27)
InChIKeySCVULYJUUKPLDL-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.59
Rot. Bonds5

About 2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide

2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide (PubChem CID 54299012) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is 2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound Name2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide
PubChem CID54299012
Molecular FormulaC22H23FN6O3
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC Name2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide
SMILESCC1(C(=O)NC2CC2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(N)n3)[nH]2)OC1
InChIInChI=1S/C22H23FN6O3/c1-22(20(30)26-14-6-7-14)10-31-19(32-11-22)18-28-16(12-2-4-13(23)5-3-12)17(29-18)15-8-9-25-21(24)27-15/h2-5,8-9,14,19H,6-7,10-11H2,1H3,(H,26,30)(H,28,29)(H2,24,25,27)
InChIKeySCVULYJUUKPLDL-UHFFFAOYSA-N
XLogP2.59
TPSA128.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide 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-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide?
The IUPAC name of 2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide (CID 54299012) is 2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for 2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide?
The canonical SMILES for 2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide is CC1(C(=O)NC2CC2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(N)n3)[nH]2)OC1.
What is the InChIKey of 2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide?
The InChIKey is SCVULYJUUKPLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-22(20(30)26-14-6-7-14)10-31-19(32-11-22)18-28-16(12-2-4-13(23)5-3-12)17(29-18)15-8-9-25-21(24)27-15/h2-5,8-9,14,19H,6-7,10-11H2,1H3,(H,26,30)(H,28,29)(H2,24,25,27).
What are the key properties of 2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide?
2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-cyclopropyl-5-methyl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 54299012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).