N-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C21H17FN4O3 — CID 71553552

IUPACN-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(O)c1-c1nc2ncccn2c1C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C21H17FN4O3/c1-25(14-9-7-13(22)8-10-14)20(28)19-18(24-21-23-11-4-12-26(19)21)17-15(27)5-3-6-16(17)29-2/h3-12,27H,1-2H3
InChIKeyWLIWNRPKXBWRHY-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.53
Rot. Bonds4

About N-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

N-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71553552) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71553552
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC NameN-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(O)c1-c1nc2ncccn2c1C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C21H17FN4O3/c1-25(14-9-7-13(22)8-10-14)20(28)19-18(24-21-23-11-4-12-26(19)21)17-15(27)5-3-6-16(17)29-2/h3-12,27H,1-2H3
InChIKeyWLIWNRPKXBWRHY-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 N-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71553552) is N-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is COc1cccc(O)c1-c1nc2ncccn2c1C(=O)N(C)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WLIWNRPKXBWRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-25(14-9-7-13(22)8-10-14)20(28)19-18(24-21-23-11-4-12-26(19)21)17-15(27)5-3-6-16(17)29-2/h3-12,27H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-(4-fluorophenyl)-2-(2-hydroxy-6-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 N-(4-fluorophenyl)-2-(2-hydroxy-6-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71553552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).