2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide

C21H22FN5O3 — CID 22254858

IUPAC2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide
SMILESCC1COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1NC(=O)CN
InChIInChI=1S/C21H22FN5O3/c1-12-11-29-21(30-20(12)25-16(28)10-23)19-26-17(13-2-4-15(22)5-3-13)18(27-19)14-6-8-24-9-7-14/h2-9,12,20-21H,10-11,23H2,1H3,(H,25,28)(H,26,27)
InChIKeyPQURKYHDLOYDHD-UHFFFAOYSA-N
MW411.44 g/mol
LogP2.36
Rot. Bonds5

About 2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide

2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide (PubChem CID 22254858) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide
PubChem CID22254858
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide
SMILESCC1COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1NC(=O)CN
InChIInChI=1S/C21H22FN5O3/c1-12-11-29-21(30-20(12)25-16(28)10-23)19-26-17(13-2-4-15(22)5-3-13)18(27-19)14-6-8-24-9-7-14/h2-9,12,20-21H,10-11,23H2,1H3,(H,25,28)(H,26,27)
InChIKeyPQURKYHDLOYDHD-UHFFFAOYSA-N
XLogP2.36
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
CID 22254794
2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide
CID 22255596
3-amino-2-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]-2-methyl-3-oxopropanoic acid
CID 154441980
N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanesulfonamide
CID 22255368
[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-pyrrolidin-1-ylmethanone
CID 22255208
N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]cyclohexanecarboxamide
CID 23592261
1-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-1-sulfanylurea
CID 57251550
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]urea
CID 22255459
(2-amino-2-oxo-1-phenylethyl) 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylate
CID 174554160
4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine
CID 14849810
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanone
CID 22255190
3-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]carbamoylamino]benzoic acid
CID 22255258

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide?
The IUPAC name of 2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide (CID 22254858) is 2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide?
The canonical SMILES for 2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide is CC1COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1NC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide?
The InChIKey is PQURKYHDLOYDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-12-11-29-21(30-20(12)25-16(28)10-23)19-26-17(13-2-4-15(22)5-3-13)18(27-19)14-6-8-24-9-7-14/h2-9,12,20-21H,10-11,23H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide?
2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide has a molecular weight of 411.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-4-yl]acetamide is sourced from PubChem (CID 22254858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).