2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide

C24H28FN5O5 — CID 54298738

IUPAC2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide
SMILESCC(C)NC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(OCCO)n3)[nH]2)OC1
InChIInChI=1S/C24H28FN5O5/c1-14(2)27-22(32)24(3)12-34-21(35-13-24)20-29-18(15-4-6-16(25)7-5-15)19(30-20)17-8-9-26-23(28-17)33-11-10-31/h4-9,14,21,31H,10-13H2,1-3H3,(H,27,32)(H,29,30)
InChIKeySCQUVYFDKZBTAM-UHFFFAOYSA-N
MW485.52 g/mol
LogP2.62
Rot. Bonds8

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

2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide (PubChem CID 54298738) has the molecular formula C24H28FN5O5 and a molecular weight of 485.52 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide
PubChem CID54298738
Molecular FormulaC24H28FN5O5
Molecular Weight485.52 g/mol
Exact Mass485.21
IUPAC Name2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide
SMILESCC(C)NC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(OCCO)n3)[nH]2)OC1
InChIInChI=1S/C24H28FN5O5/c1-14(2)27-22(32)24(3)12-34-21(35-13-24)20-29-18(15-4-6-16(25)7-5-15)19(30-20)17-8-9-26-23(28-17)33-11-10-31/h4-9,14,21,31H,10-13H2,1-3H3,(H,27,32)(H,29,30)
InChIKeySCQUVYFDKZBTAM-UHFFFAOYSA-N
XLogP2.62
TPSA131.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide (CID 54298738) is 2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide is CC(C)NC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(OCCO)n3)[nH]2)OC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide?
The InChIKey is SCQUVYFDKZBTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O5/c1-14(2)27-22(32)24(3)12-34-21(35-13-24)20-29-18(15-4-6-16(25)7-5-15)19(30-20)17-8-9-26-23(28-17)33-11-10-31/h4-9,14,21,31H,10-13H2,1-3H3,(H,27,32)(H,29,30).
What are the key properties of 2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide?
2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide has a molecular weight of 485.52 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 54298738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).