2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide

C25H23FN4O4 — CID 23592251

IUPAC2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide
SMILESCC1(C(=O)NCc2ccco2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1
InChIInChI=1S/C25H23FN4O4/c1-25(24(31)28-13-19-3-2-12-32-19)14-33-23(34-15-25)22-29-20(16-4-6-18(26)7-5-16)21(30-22)17-8-10-27-11-9-17/h2-12,23H,13-15H2,1H3,(H,28,31)(H,29,30)
InChIKeyKKGCPTFQQSUOJA-UHFFFAOYSA-N
MW462.48 g/mol
LogP4.24
Rot. Bonds6

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

2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide (PubChem CID 23592251) has the molecular formula C25H23FN4O4 and a molecular weight of 462.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide
PubChem CID23592251
Molecular FormulaC25H23FN4O4
Molecular Weight462.48 g/mol
Exact Mass462.17
IUPAC Name2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide
SMILESCC1(C(=O)NCc2ccco2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1
InChIInChI=1S/C25H23FN4O4/c1-25(24(31)28-13-19-3-2-12-32-19)14-33-23(34-15-25)22-29-20(16-4-6-18(26)7-5-16)21(30-22)17-8-10-27-11-9-17/h2-12,23H,13-15H2,1H3,(H,28,31)(H,29,30)
InChIKeyKKGCPTFQQSUOJA-UHFFFAOYSA-N
XLogP4.24
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide (CID 23592251) is 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide is CC1(C(=O)NCc2ccco2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide?
The InChIKey is KKGCPTFQQSUOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4/c1-25(24(31)28-13-19-3-2-12-32-19)14-33-23(34-15-25)22-29-20(16-4-6-18(26)7-5-16)21(30-22)17-8-10-27-11-9-17/h2-12,23H,13-15H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide?
2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)-5-methyl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 23592251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).