2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C21H17FN4O3 — CID 71553641

IUPAC2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2c(-c3cc(F)ccc3O)nc3ncccn23)cc1
InChIInChI=1S/C21H17FN4O3/c1-25(14-5-7-15(29-2)8-6-14)20(28)19-18(16-12-13(22)4-9-17(16)27)24-21-23-10-3-11-26(19)21/h3-12,27H,1-2H3
InChIKeyLKDRXYKDNWMNEU-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.53
Rot. Bonds4

About 2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71553641) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71553641
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2c(-c3cc(F)ccc3O)nc3ncccn23)cc1
InChIInChI=1S/C21H17FN4O3/c1-25(14-5-7-15(29-2)8-6-14)20(28)19-18(16-12-13(22)4-9-17(16)27)24-21-23-10-3-11-26(19)21/h3-12,27H,1-2H3
InChIKeyLKDRXYKDNWMNEU-UHFFFAOYSA-N
XLogP3.53
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71553641) is 2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is COc1ccc(N(C)C(=O)c2c(-c3cc(F)ccc3O)nc3ncccn23)cc1.
What is the InChIKey of 2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LKDRXYKDNWMNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-25(14-5-7-15(29-2)8-6-14)20(28)19-18(16-12-13(22)4-9-17(16)27)24-21-23-10-3-11-26(19)21/h3-12,27H,1-2H3.
What are the key properties of 2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-hydroxyphenyl)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71553641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).