3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

C21H16FN5O2 — CID 74767352

IUPAC3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(N)=O)cc3)cnc2cn1)c1ccc(F)cc1
InChIInChI=1S/C21H16FN5O2/c1-26(16-8-6-15(22)7-9-16)21(29)17-12-27-18(10-25-19(27)11-24-17)13-2-4-14(5-3-13)20(23)28/h2-12H,1H3,(H2,23,28)
InChIKeyRQIBUEJFBWULLL-UHFFFAOYSA-N
MW389.39 g/mol
LogP2.91
Rot. Bonds4

About 3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 74767352) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID74767352
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(N)=O)cc3)cnc2cn1)c1ccc(F)cc1
InChIInChI=1S/C21H16FN5O2/c1-26(16-8-6-15(22)7-9-16)21(29)17-12-27-18(10-25-19(27)11-24-17)13-2-4-14(5-3-13)20(23)28/h2-12H,1H3,(H2,23,28)
InChIKeyRQIBUEJFBWULLL-UHFFFAOYSA-N
XLogP2.91
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (CID 74767352) is 3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(C(N)=O)cc3)cnc2cn1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is RQIBUEJFBWULLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-26(16-8-6-15(22)7-9-16)21(29)17-12-27-18(10-25-19(27)11-24-17)13-2-4-14(5-3-13)20(23)28/h2-12H,1H3,(H2,23,28).
What are the key properties of 3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 74767352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).