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

C21H13ClFN5O — CID 74766720

IUPAC3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(Cl)c(F)c3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C21H13ClFN5O/c1-27(15-5-2-13(9-24)3-6-15)21(29)18-12-28-19(10-26-20(28)11-25-18)14-4-7-16(22)17(23)8-14/h2-8,10-12H,1H3
InChIKeyOITHLARCOTZUEK-UHFFFAOYSA-N
MW405.82 g/mol
LogP4.34
Rot. Bonds3

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

3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 74766720) has the molecular formula C21H13ClFN5O and a molecular weight of 405.82 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID74766720
Molecular FormulaC21H13ClFN5O
Molecular Weight405.82 g/mol
Exact Mass405.08
IUPAC Name3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(Cl)c(F)c3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C21H13ClFN5O/c1-27(15-5-2-13(9-24)3-6-15)21(29)18-12-28-19(10-26-20(28)11-25-18)14-4-7-16(22)17(23)8-14/h2-8,10-12H,1H3
InChIKeyOITHLARCOTZUEK-UHFFFAOYSA-N
XLogP4.34
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.82
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (CID 74766720) is 3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(Cl)c(F)c3)cnc2cn1)c1ccc(C#N)cc1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is OITHLARCOTZUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5O/c1-27(15-5-2-13(9-24)3-6-15)21(29)18-12-28-19(10-26-20(28)11-25-18)14-4-7-16(22)17(23)8-14/h2-8,10-12H,1H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 405.82 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 74766720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).