2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C20H14F2N4O2 — CID 71553291

IUPAC2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(-c2ccc(O)c(F)c2)nc2ncccn12)c1ccc(F)cc1
InChIInChI=1S/C20H14F2N4O2/c1-25(14-6-4-13(21)5-7-14)19(28)18-17(12-3-8-16(27)15(22)11-12)24-20-23-9-2-10-26(18)20/h2-11,27H,1H3
InChIKeyPFYUKOLJZHHXSA-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.66
Rot. Bonds3

About 2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71553291) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71553291
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(-c2ccc(O)c(F)c2)nc2ncccn12)c1ccc(F)cc1
InChIInChI=1S/C20H14F2N4O2/c1-25(14-6-4-13(21)5-7-14)19(28)18-17(12-3-8-16(27)15(22)11-12)24-20-23-9-2-10-26(18)20/h2-11,27H,1H3
InChIKeyPFYUKOLJZHHXSA-UHFFFAOYSA-N
XLogP3.66
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71553291) is 2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is CN(C(=O)c1c(-c2ccc(O)c(F)c2)nc2ncccn12)c1ccc(F)cc1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is PFYUKOLJZHHXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c1-25(14-6-4-13(21)5-7-14)19(28)18-17(12-3-8-16(27)15(22)11-12)24-20-23-9-2-10-26(18)20/h2-11,27H,1H3.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 380.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71553291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).