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

C21H17FN4O3 — CID 71553387

IUPAC2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2c(Oc3ccc(F)cc3)nc3ncccn23)cc1
InChIInChI=1S/C21H17FN4O3/c1-25(15-6-10-16(28-2)11-7-15)20(27)18-19(24-21-23-12-3-13-26(18)21)29-17-8-4-14(22)5-9-17/h3-13H,1-2H3
InChIKeyRVQDKVKRVWPEGY-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.95
Rot. Bonds5

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

2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71553387) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71553387
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2c(Oc3ccc(F)cc3)nc3ncccn23)cc1
InChIInChI=1S/C21H17FN4O3/c1-25(15-6-10-16(28-2)11-7-15)20(27)18-19(24-21-23-12-3-13-26(18)21)29-17-8-4-14(22)5-9-17/h3-13H,1-2H3
InChIKeyRVQDKVKRVWPEGY-UHFFFAOYSA-N
XLogP3.95
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71553387) is 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is COc1ccc(N(C)C(=O)c2c(Oc3ccc(F)cc3)nc3ncccn23)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RVQDKVKRVWPEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-25(15-6-10-16(28-2)11-7-15)20(27)18-19(24-21-23-12-3-13-26(18)21)29-17-8-4-14(22)5-9-17/h3-13H,1-2H3.
What are the key properties of 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71553387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).