3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide

C16H13F3N4O2 — CID 122285536

IUPAC3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CC(F)(F)F
InChIInChI=1S/C16H13F3N4O2/c1-25-13-4-3-10(7-11(13)21-14(24)8-16(17,18)19)12-9-23-6-2-5-20-15(23)22-12/h2-7,9H,8H2,1H3,(H,21,24)
InChIKeyLUHBNMWRBOOIPA-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.30
Rot. Bonds4

About 3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide

3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide (PubChem CID 122285536) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide
PubChem CID122285536
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CC(F)(F)F
InChIInChI=1S/C16H13F3N4O2/c1-25-13-4-3-10(7-11(13)21-14(24)8-16(17,18)19)12-9-23-6-2-5-20-15(23)22-12/h2-7,9H,8H2,1H3,(H,21,24)
InChIKeyLUHBNMWRBOOIPA-UHFFFAOYSA-N
XLogP3.30
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)acetamide
CID 122285463
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-naphthalen-1-ylacetamide
CID 122285464
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
CID 121086914
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide
CID 7080283
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiophene-2-carboxamide
CID 122285495
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 122285527
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide
CID 121033055
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 122285443
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 121024207
3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122285550
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 6494240

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide (CID 122285536) is 3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide is COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide?
The InChIKey is LUHBNMWRBOOIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-25-13-4-3-10(7-11(13)21-14(24)8-16(17,18)19)12-9-23-6-2-5-20-15(23)22-12/h2-7,9H,8H2,1H3,(H,21,24).
What are the key properties of 3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide?
3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide has a molecular weight of 350.30 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide is sourced from PubChem (CID 122285536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).